REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1f91_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SASATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.607 32.600 0.012 0.000 1.302 2 K N 1.682 122.088 120.400 0.009 0.000 2.249 2 K HA 0.446 4.766 4.320 -0.000 0.000 0.280 2 K C -0.555 176.047 176.600 0.003 0.000 1.033 2 K CA -0.148 56.142 56.287 0.005 0.000 0.946 2 K CB 0.839 33.340 32.500 0.001 0.000 1.005 2 K HN 0.179 nan 8.250 nan 0.000 0.469 3 R N 1.449 121.949 120.500 0.001 0.000 2.410 3 R HA 0.353 4.692 4.340 -0.000 0.000 0.288 3 R C -0.728 175.565 176.300 -0.012 0.000 1.051 3 R CA -0.721 55.378 56.100 -0.002 0.000 1.021 3 R CB 1.098 31.397 30.300 -0.001 0.000 1.032 3 R HN 0.230 nan 8.270 nan 0.000 0.481 4 V N 3.524 123.428 119.914 -0.017 0.000 2.540 4 V HA 0.464 4.584 4.120 -0.000 0.000 0.302 4 V C -0.007 176.065 176.094 -0.036 0.000 1.035 4 V CA -0.762 61.518 62.300 -0.034 0.000 0.873 4 V CB 1.622 33.419 31.823 -0.044 0.000 0.992 4 V HN 0.633 nan 8.190 nan 0.000 0.428 5 V N 2.247 122.135 119.914 -0.044 0.000 3.126 5 V HA 0.703 4.823 4.120 -0.000 0.000 0.314 5 V C -0.693 175.373 176.094 -0.048 0.000 1.138 5 V CA -0.976 61.300 62.300 -0.041 0.000 1.034 5 V CB 2.435 34.234 31.823 -0.040 0.000 1.075 5 V HN 0.656 nan 8.190 nan 0.000 0.442 6 I N 1.879 122.435 120.570 -0.022 0.000 2.362 6 I HA 0.460 4.630 4.170 -0.000 0.000 0.289 6 I C 0.801 176.969 176.117 0.086 0.000 0.994 6 I CA -0.058 61.241 61.300 -0.001 0.000 1.158 6 I CB 2.170 40.162 38.000 -0.013 0.000 1.315 6 I HN 0.989 nan 8.210 nan 0.000 0.451 7 T N 0.606 115.200 114.554 0.067 0.000 3.084 7 T HA 0.439 4.789 4.350 -0.000 0.000 0.270 7 T C 0.359 175.185 174.700 0.209 0.000 1.008 7 T CA -0.414 61.740 62.100 0.091 0.000 0.900 7 T CB 0.488 69.359 68.868 0.006 0.000 1.084 7 T HN 0.724 nan 8.240 nan 0.000 0.538 8 G N 1.414 110.351 108.800 0.228 0.000 2.667 8 G HA2 0.568 4.528 3.960 -0.000 0.000 0.294 8 G HA3 0.568 4.528 3.960 -0.000 0.000 0.294 8 G C -2.060 172.873 174.900 0.056 0.000 1.467 8 G CA -0.955 44.276 45.100 0.218 0.000 0.852 8 G HN 0.644 nan 8.290 nan 0.000 0.521 9 L N -1.096 120.140 121.223 0.021 0.000 2.465 9 L HA 1.046 5.386 4.340 -0.000 0.000 0.257 9 L C -0.045 176.797 176.870 -0.047 0.000 0.988 9 L CA -0.910 53.876 54.840 -0.091 0.000 0.827 9 L CB 1.749 43.651 42.059 -0.261 0.000 1.397 9 L HN 1.209 nan 8.230 nan 0.000 0.410 10 G N 0.771 109.531 108.800 -0.066 0.000 2.696 10 G HA2 0.808 4.768 3.960 -0.000 0.000 0.295 10 G HA3 0.808 4.768 3.960 -0.000 0.000 0.295 10 G C -2.010 172.857 174.900 -0.054 0.000 1.398 10 G CA -0.716 44.357 45.100 -0.045 0.000 0.920 10 G HN 1.056 nan 8.290 nan 0.000 0.492 11 I N 0.428 120.979 120.570 -0.031 0.000 2.785 11 I HA 0.534 4.704 4.170 -0.000 0.000 0.293 11 I C -1.603 174.503 176.117 -0.019 0.000 1.446 11 I CA -0.868 60.410 61.300 -0.037 0.000 1.028 11 I CB 2.232 40.205 38.000 -0.045 0.000 1.349 11 I HN 0.361 nan 8.210 nan 0.000 0.438 12 V N 6.558 126.447 119.914 -0.042 0.000 2.398 12 V HA 0.596 4.716 4.120 -0.000 0.000 0.282 12 V C -0.199 175.809 176.094 -0.145 0.000 1.014 12 V CA -0.184 62.071 62.300 -0.075 0.000 0.838 12 V CB 1.157 32.941 31.823 -0.065 0.000 1.018 12 V HN 0.817 nan 8.190 nan 0.000 0.432 13 S N 2.339 117.981 115.700 -0.096 0.000 2.732 13 S HA 0.461 4.931 4.470 -0.000 0.000 0.293 13 S C 1.168 175.713 174.600 -0.091 0.000 1.159 13 S CA 0.101 58.247 58.200 -0.090 0.000 0.847 13 S CB 1.742 64.970 63.200 0.047 0.000 1.169 13 S HN 0.862 nan 8.310 nan 0.000 0.501 14 S N 0.457 116.109 115.700 -0.079 0.000 2.442 14 S HA -0.089 4.380 4.470 -0.000 0.000 0.236 14 S C 1.463 176.038 174.600 -0.042 0.000 1.007 14 S CA 1.123 59.279 58.200 -0.074 0.000 0.965 14 S CB -1.152 62.014 63.200 -0.056 0.000 0.773 14 S HN 1.021 nan 8.310 nan 0.000 0.504 15 I N -2.409 118.145 120.570 -0.028 0.000 3.914 15 I HA 0.669 4.839 4.170 -0.000 0.000 0.333 15 I C 0.565 176.669 176.117 -0.023 0.000 1.449 15 I CA -0.405 60.873 61.300 -0.036 0.000 1.135 15 I CB 0.097 38.049 38.000 -0.080 0.000 1.073 15 I HN 0.300 nan 8.210 nan 0.000 0.401 16 G N 1.154 109.946 108.800 -0.013 0.000 2.386 16 G HA2 0.040 4.000 3.960 -0.000 0.000 0.302 16 G HA3 0.040 4.000 3.960 -0.000 0.000 0.302 16 G C -0.888 174.009 174.900 -0.005 0.000 1.629 16 G CA -0.649 44.448 45.100 -0.005 0.000 0.917 16 G HN 0.021 nan 8.290 nan 0.000 0.676 17 N N 0.513 119.211 118.700 -0.003 0.000 2.230 17 N HA 0.115 4.855 4.740 -0.000 0.000 0.202 17 N C 0.468 175.985 175.510 0.012 0.000 1.119 17 N CA 0.504 53.553 53.050 -0.001 0.000 0.851 17 N CB 0.143 38.633 38.487 0.005 0.000 0.990 17 N HN 0.853 nan 8.380 nan 0.000 0.497 18 N N -1.363 117.347 118.700 0.017 0.000 3.227 18 N HA -0.025 4.715 4.740 -0.000 0.000 0.241 18 N C 0.265 175.794 175.510 0.032 0.000 1.480 18 N CA -0.498 52.566 53.050 0.023 0.000 0.886 18 N CB 0.879 39.381 38.487 0.025 0.000 1.406 18 N HN -0.185 nan 8.380 nan 0.000 0.514 19 Q N -0.281 119.542 119.800 0.040 0.000 2.226 19 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 19 Q C 1.033 177.059 176.000 0.042 0.000 0.975 19 Q CA 1.622 57.458 55.803 0.055 0.000 0.866 19 Q CB -0.209 28.574 28.738 0.074 0.000 0.915 19 Q HN 0.540 nan 8.270 nan 0.000 0.440 20 Q N 1.205 121.021 119.800 0.027 0.000 2.079 20 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 20 Q C 1.707 177.696 176.000 -0.018 0.000 0.974 20 Q CA 1.923 57.725 55.803 -0.002 0.000 0.840 20 Q CB 0.084 28.822 28.738 0.001 0.000 0.898 20 Q HN 0.581 nan 8.270 nan 0.000 0.430 21 E N -0.629 119.569 120.200 -0.005 0.000 2.072 21 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 21 E C 1.980 178.571 176.600 -0.014 0.000 0.982 21 E CA 1.048 57.440 56.400 -0.013 0.000 0.803 21 E CB 0.043 29.740 29.700 -0.005 0.000 0.755 21 E HN 0.098 nan 8.360 nan 0.000 0.453 22 V N 1.634 121.555 119.914 0.012 0.000 2.343 22 V HA -0.249 3.870 4.120 -0.000 0.000 0.247 22 V C 2.324 178.422 176.094 0.005 0.000 1.051 22 V CA 1.424 63.741 62.300 0.028 0.000 1.036 22 V CB -0.374 31.522 31.823 0.122 0.000 0.654 22 V HN 0.233 nan 8.190 nan 0.000 0.451 23 L N 0.933 122.160 121.223 0.007 0.000 2.012 23 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 23 L C 2.463 179.265 176.870 -0.113 0.000 1.073 23 L CA 2.578 57.399 54.840 -0.032 0.000 0.748 23 L CB -1.083 40.904 42.059 -0.119 0.000 0.891 23 L HN 0.238 nan 8.230 nan 0.000 0.431 24 A N -1.532 121.221 122.820 -0.111 0.000 1.883 24 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 24 A C 2.400 179.918 177.584 -0.110 0.000 1.186 24 A CA 2.153 54.115 52.037 -0.125 0.000 0.624 24 A CB -1.084 17.863 19.000 -0.088 0.000 0.822 24 A HN 0.552 nan 8.150 nan 0.000 0.444 25 S N -0.149 115.503 115.700 -0.080 0.000 2.356 25 S HA -0.117 4.353 4.470 -0.000 0.000 0.223 25 S C 1.851 176.402 174.600 -0.081 0.000 1.032 25 S CA 1.518 59.672 58.200 -0.076 0.000 1.005 25 S CB -0.516 62.640 63.200 -0.073 0.000 0.867 25 S HN 0.502 nan 8.310 nan 0.000 0.449 26 L N 0.790 121.972 121.223 -0.069 0.000 2.042 26 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 26 L C 2.733 179.616 176.870 0.021 0.000 1.076 26 L CA 1.361 56.201 54.840 0.001 0.000 0.749 26 L CB -0.430 41.719 42.059 0.150 0.000 0.893 26 L HN 0.226 nan 8.230 nan 0.000 0.432 27 R N -0.118 120.285 120.500 -0.162 0.000 2.115 27 R HA -0.135 4.205 4.340 -0.000 0.000 0.230 27 R C 1.910 178.117 176.300 -0.154 0.000 1.111 27 R CA 1.200 57.111 56.100 -0.315 0.000 0.976 27 R CB -0.045 29.957 30.300 -0.496 0.000 0.870 27 R HN 0.452 nan 8.270 nan 0.000 0.445 28 E N -0.954 119.178 120.200 -0.113 0.000 2.474 28 E HA 0.073 4.423 4.350 -0.000 0.000 0.194 28 E C 0.564 177.136 176.600 -0.048 0.000 1.041 28 E CA 0.310 56.665 56.400 -0.076 0.000 0.874 28 E CB 0.670 30.327 29.700 -0.070 0.000 0.914 28 E HN 0.455 nan 8.360 nan 0.000 0.498 29 G N 2.911 111.687 108.800 -0.041 0.000 2.246 29 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.273 29 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.273 29 G C 0.069 174.949 174.900 -0.033 0.000 1.055 29 G CA 0.461 45.544 45.100 -0.029 0.000 0.851 29 G HN 0.223 nan 8.290 nan 0.000 0.500 30 R N 0.325 120.800 120.500 -0.042 0.000 2.298 30 R HA 0.479 4.819 4.340 -0.000 0.000 0.310 30 R C 0.772 177.052 176.300 -0.033 0.000 1.068 30 R CA 0.269 56.349 56.100 -0.033 0.000 0.957 30 R CB 0.532 30.811 30.300 -0.036 0.000 1.003 30 R HN 0.272 nan 8.270 nan 0.000 0.454 31 S N 2.023 117.713 115.700 -0.016 0.000 2.576 31 S HA 0.237 4.707 4.470 -0.000 0.000 0.276 31 S C 0.894 175.496 174.600 0.002 0.000 1.339 31 S CA -0.090 58.106 58.200 -0.008 0.000 1.039 31 S CB 1.195 64.401 63.200 0.009 0.000 0.902 31 S HN 0.788 nan 8.310 nan 0.000 0.516 32 G N 3.556 112.359 108.800 0.005 0.000 3.324 32 G HA2 0.237 4.197 3.960 -0.000 0.000 0.251 32 G HA3 0.237 4.197 3.960 -0.000 0.000 0.251 32 G C 0.107 175.038 174.900 0.051 0.000 1.072 32 G CA -0.274 44.834 45.100 0.013 0.000 0.787 32 G HN 0.611 nan 8.290 nan 0.000 0.537 33 I N 2.770 123.385 120.570 0.075 0.000 2.441 33 I HA 0.350 4.520 4.170 -0.000 0.000 0.287 33 I C 0.691 176.910 176.117 0.171 0.000 1.049 33 I CA -0.151 61.229 61.300 0.133 0.000 1.381 33 I CB 0.429 38.501 38.000 0.119 0.000 1.409 33 I HN 0.086 nan 8.210 nan 0.000 0.523 34 T N 2.844 117.557 114.554 0.264 0.000 2.887 34 T HA 0.543 4.893 4.350 -0.000 0.000 0.292 34 T C -0.534 174.336 174.700 0.282 0.000 1.087 34 T CA -0.735 61.531 62.100 0.277 0.000 1.009 34 T CB 1.824 70.869 68.868 0.296 0.000 1.203 34 T HN 0.210 nan 8.240 nan 0.000 0.518 35 F N 1.641 121.651 119.950 0.100 0.000 2.443 35 F HA 0.567 5.094 4.527 -0.000 0.000 0.353 35 F C 0.449 176.175 175.800 -0.123 0.000 1.101 35 F CA -0.213 57.788 58.000 0.002 0.000 1.226 35 F CB 0.997 40.004 39.000 0.011 0.000 1.140 35 F HN 0.675 nan 8.300 nan 0.000 0.557 36 S N 4.922 119.838 115.700 -1.306 0.000 2.594 36 S HA 0.190 4.660 4.470 -0.000 0.000 0.322 36 S C 0.564 174.378 174.600 -1.310 0.000 1.085 36 S CA -0.660 56.699 58.200 -1.402 0.000 1.116 36 S CB 1.235 63.049 63.200 -2.311 0.000 0.979 36 S HN 0.885 nan 8.310 nan 0.000 0.465 37 Q N 3.456 122.817 119.800 -0.732 0.000 2.170 37 Q HA -0.087 4.253 4.340 -0.000 0.000 0.203 37 Q C 1.754 177.522 176.000 -0.386 0.000 0.976 37 Q CA 2.207 57.773 55.803 -0.395 0.000 0.858 37 Q CB -0.160 28.543 28.738 -0.059 0.000 0.907 37 Q HN 0.910 nan 8.270 nan 0.000 0.433 38 E N -0.510 119.459 120.200 -0.384 0.000 2.058 38 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 38 E C 1.776 178.198 176.600 -0.295 0.000 0.997 38 E CA 1.397 57.656 56.400 -0.234 0.000 0.801 38 E CB -0.168 29.505 29.700 -0.045 0.000 0.746 38 E HN 0.454 nan 8.360 nan 0.000 0.450 39 L N 0.559 121.491 121.223 -0.484 0.000 2.056 39 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 39 L C 2.851 179.535 176.870 -0.310 0.000 1.078 39 L CA 1.343 55.998 54.840 -0.309 0.000 0.749 39 L CB -0.564 41.288 42.059 -0.345 0.000 0.901 39 L HN 0.158 nan 8.230 nan 0.000 0.433 40 K N 0.416 120.491 120.400 -0.541 0.000 2.032 40 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 40 K C 1.614 177.997 176.600 -0.362 0.000 1.048 40 K CA 1.958 57.834 56.287 -0.685 0.000 0.927 40 K CB -0.018 32.037 32.500 -0.742 0.000 0.712 40 K HN 0.222 nan 8.250 nan 0.000 0.441 41 D N 0.138 120.355 120.400 -0.304 0.000 2.263 41 D HA -0.111 4.529 4.640 -0.000 0.000 0.208 41 D C 1.850 177.967 176.300 -0.305 0.000 0.971 41 D CA 1.346 55.197 54.000 -0.248 0.000 0.867 41 D CB -0.059 40.614 40.800 -0.211 0.000 0.929 41 D HN 0.354 nan 8.370 nan 0.000 0.492 42 S N -0.862 114.620 115.700 -0.363 0.000 2.522 42 S HA 0.149 4.619 4.470 -0.000 0.000 0.227 42 S C 1.765 176.192 174.600 -0.290 0.000 0.986 42 S CA 0.808 58.705 58.200 -0.504 0.000 0.929 42 S CB 0.187 63.080 63.200 -0.512 0.000 0.769 42 S HN 0.300 nan 8.310 nan 0.000 0.529 43 G N 0.688 109.384 108.800 -0.174 0.000 2.144 43 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 43 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 43 G C -0.031 174.869 174.900 0.001 0.000 0.988 43 G CA 0.123 45.175 45.100 -0.081 0.000 0.659 43 G HN 0.484 nan 8.290 nan 0.000 0.522 44 M N -0.712 118.907 119.600 0.032 0.000 2.202 44 M HA 0.451 4.931 4.480 -0.000 0.000 0.316 44 M C 1.836 178.230 176.300 0.158 0.000 1.138 44 M CA -0.151 55.205 55.300 0.092 0.000 1.151 44 M CB 0.622 33.285 32.600 0.106 0.000 1.422 44 M HN 0.140 nan 8.290 nan 0.000 0.471 45 R N -0.452 120.077 120.500 0.047 0.000 2.189 45 R HA 0.109 4.449 4.340 -0.000 0.000 0.203 45 R C 0.430 176.545 176.300 -0.309 0.000 1.012 45 R CA 0.230 56.276 56.100 -0.090 0.000 1.015 45 R CB 0.235 30.495 30.300 -0.067 0.000 0.938 45 R HN 0.538 nan 8.270 nan 0.000 0.472 46 S N 0.545 116.173 115.700 -0.120 0.000 2.430 46 S HA 0.122 4.592 4.470 -0.000 0.000 0.289 46 S C -0.054 174.544 174.600 -0.003 0.000 1.143 46 S CA -0.558 57.574 58.200 -0.113 0.000 1.067 46 S CB 0.254 63.430 63.200 -0.040 0.000 0.964 46 S HN 0.339 nan 8.310 nan 0.000 0.485 47 H N 2.801 121.814 119.070 -0.094 0.000 2.528 47 H HA 0.303 4.859 4.556 -0.000 0.000 0.282 47 H C 0.111 175.221 175.328 -0.363 0.000 1.097 47 H CA -0.559 55.322 56.048 -0.277 0.000 1.121 47 H CB 0.524 30.197 29.762 -0.149 0.000 1.590 47 H HN 0.461 nan 8.280 nan 0.000 0.553 48 V N -1.504 118.374 119.914 -0.061 0.000 2.769 48 V HA 0.599 4.719 4.120 -0.000 0.000 0.312 48 V C -1.146 175.025 176.094 0.128 0.000 1.061 48 V CA -0.907 61.396 62.300 0.005 0.000 0.931 48 V CB 1.910 33.805 31.823 0.121 0.000 1.010 48 V HN 0.383 nan 8.190 nan 0.000 0.433 49 W N 1.493 122.811 121.300 0.031 0.000 3.074 49 W HA 0.837 5.497 4.660 -0.000 0.000 0.332 49 W C -0.320 176.221 176.519 0.036 0.000 1.253 49 W CA -1.813 55.554 57.345 0.036 0.000 1.180 49 W CB 0.911 30.388 29.460 0.028 0.000 1.445 49 W HN 1.005 nan 8.180 nan 0.000 0.573 50 G N 1.933 110.842 108.800 0.181 0.000 3.005 50 G HA2 0.404 4.364 3.960 -0.000 0.000 0.342 50 G HA3 0.404 4.364 3.960 -0.000 0.000 0.342 50 G C -0.599 174.178 174.900 -0.205 0.000 1.101 50 G CA -0.842 44.267 45.100 0.016 0.000 1.225 50 G HN 0.617 nan 8.290 nan 0.000 0.462 51 N N 0.015 118.500 118.700 -0.358 0.000 2.508 51 N HA 0.433 5.173 4.740 -0.000 0.000 0.285 51 N C -0.376 174.954 175.510 -0.300 0.000 1.144 51 N CA -0.888 51.834 53.050 -0.548 0.000 0.978 51 N CB 2.088 40.096 38.487 -0.798 0.000 1.180 51 N HN -0.015 nan 8.380 nan 0.000 0.484 52 V N 1.672 121.394 119.914 -0.319 0.000 2.427 52 V HA 0.041 4.161 4.120 -0.000 0.000 0.268 52 V C 0.301 176.317 176.094 -0.130 0.000 1.046 52 V CA -0.425 61.723 62.300 -0.253 0.000 0.970 52 V CB 0.364 31.936 31.823 -0.418 0.000 1.001 52 V HN 0.702 nan 8.190 nan 0.000 0.476 53 K N 6.075 126.429 120.400 -0.078 0.000 2.278 53 K HA 0.437 4.757 4.320 -0.000 0.000 0.237 53 K C -0.800 175.797 176.600 -0.005 0.000 1.229 53 K CA -0.202 56.071 56.287 -0.023 0.000 1.155 53 K CB 0.145 32.641 32.500 -0.007 0.000 1.590 53 K HN 0.464 nan 8.250 nan 0.000 0.290 54 L N 0.365 121.595 121.223 0.011 0.000 2.592 54 L HA 0.293 4.632 4.340 -0.000 0.000 0.258 54 L C -1.775 175.128 176.870 0.055 0.000 0.926 54 L CA -0.443 54.417 54.840 0.033 0.000 0.885 54 L CB 2.196 44.277 42.059 0.037 0.000 1.380 54 L HN 0.159 nan 8.230 nan 0.000 0.415 55 D N 2.084 122.512 120.400 0.047 0.000 2.347 55 D HA 0.263 4.903 4.640 -0.000 0.000 0.235 55 D C 0.885 177.212 176.300 0.045 0.000 1.149 55 D CA 0.445 54.471 54.000 0.045 0.000 0.850 55 D CB 1.609 42.429 40.800 0.033 0.000 1.061 55 D HN 0.735 nan 8.370 nan 0.000 0.487 56 T N -0.112 114.470 114.554 0.048 0.000 3.129 56 T HA 0.016 4.366 4.350 -0.000 0.000 0.251 56 T C 0.876 175.577 174.700 0.000 0.000 1.117 56 T CA -0.169 61.953 62.100 0.036 0.000 1.034 56 T CB -0.314 68.575 68.868 0.035 0.000 0.968 56 T HN 0.233 nan 8.240 nan 0.000 0.526 57 T N 2.509 117.062 114.554 -0.002 0.000 2.866 57 T HA 0.388 4.738 4.350 -0.000 0.000 0.293 57 T C 1.545 176.234 174.700 -0.019 0.000 1.005 57 T CA 0.930 63.019 62.100 -0.017 0.000 1.162 57 T CB -0.024 68.839 68.868 -0.008 0.000 0.968 57 T HN 0.739 nan 8.240 nan 0.000 0.530 58 G N 2.762 111.539 108.800 -0.038 0.000 2.189 58 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.267 58 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.267 58 G C 0.834 175.718 174.900 -0.027 0.000 0.975 58 G CA 0.372 45.451 45.100 -0.036 0.000 0.644 58 G HN 0.703 nan 8.290 nan 0.000 0.537 59 L N -0.387 120.823 121.223 -0.021 0.000 2.492 59 L HA 0.381 4.720 4.340 -0.000 0.000 0.223 59 L C 1.137 178.003 176.870 -0.008 0.000 1.132 59 L CA 0.594 55.437 54.840 0.006 0.000 0.850 59 L CB -0.008 42.073 42.059 0.037 0.000 0.966 59 L HN 0.292 nan 8.230 nan 0.000 0.454 60 I N -0.958 119.561 120.570 -0.086 0.000 2.582 60 I HA 0.159 4.329 4.170 -0.000 0.000 0.292 60 I C -0.453 175.561 176.117 -0.172 0.000 1.066 60 I CA -0.972 60.218 61.300 -0.183 0.000 1.053 60 I CB 2.323 40.081 38.000 -0.402 0.000 1.241 60 I HN -0.180 nan 8.210 nan 0.000 0.421 61 D N 4.102 124.408 120.400 -0.157 0.000 2.583 61 D HA -0.054 4.586 4.640 -0.000 0.000 0.232 61 D C 1.566 177.773 176.300 -0.155 0.000 1.128 61 D CA 0.333 54.258 54.000 -0.124 0.000 0.859 61 D CB 0.943 41.683 40.800 -0.100 0.000 1.169 61 D HN 0.551 nan 8.370 nan 0.000 0.481 62 R N 3.304 123.727 120.500 -0.129 0.000 2.091 62 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 62 R C 1.393 177.584 176.300 -0.183 0.000 1.136 62 R CA 1.213 57.220 56.100 -0.155 0.000 0.959 62 R CB -0.333 29.893 30.300 -0.123 0.000 0.856 62 R HN 0.363 nan 8.270 nan 0.000 0.437 63 K N 0.621 120.943 120.400 -0.130 0.000 2.442 63 K HA -0.000 4.320 4.320 -0.000 0.000 0.198 63 K C 1.650 178.220 176.600 -0.050 0.000 1.042 63 K CA 0.825 57.052 56.287 -0.100 0.000 0.958 63 K CB 0.310 32.791 32.500 -0.033 0.000 0.766 63 K HN 0.087 nan 8.250 nan 0.000 0.474 64 V N -0.645 119.208 119.914 -0.102 0.000 2.690 64 V HA -0.073 4.047 4.120 -0.000 0.000 0.240 64 V C 1.747 177.757 176.094 -0.141 0.000 1.078 64 V CA 0.625 62.880 62.300 -0.076 0.000 1.102 64 V CB 0.520 32.217 31.823 -0.210 0.000 0.800 64 V HN 0.046 nan 8.190 nan 0.000 0.479 65 V N 2.512 122.267 119.914 -0.265 0.000 2.759 65 V HA -0.197 3.923 4.120 -0.000 0.000 0.256 65 V C 2.693 178.587 176.094 -0.333 0.000 1.080 65 V CA 2.141 64.263 62.300 -0.297 0.000 1.101 65 V CB -0.640 31.012 31.823 -0.286 0.000 0.698 65 V HN 0.714 nan 8.190 nan 0.000 0.477 66 R N -1.234 118.992 120.500 -0.457 0.000 2.241 66 R HA -0.094 4.246 4.340 -0.000 0.000 0.224 66 R C 1.759 177.542 176.300 -0.863 0.000 1.101 66 R CA 1.906 57.546 56.100 -0.766 0.000 0.995 66 R CB -0.622 28.993 30.300 -1.142 0.000 0.870 66 R HN 0.511 nan 8.270 nan 0.000 0.463 67 F N 0.807 120.519 119.950 -0.397 0.000 2.746 67 F HA 0.332 4.858 4.527 -0.000 0.000 0.297 67 F C 0.939 176.591 175.800 -0.247 0.000 1.113 67 F CA -0.360 57.495 58.000 -0.242 0.000 1.367 67 F CB 0.248 39.165 39.000 -0.139 0.000 1.111 67 F HN -0.121 nan 8.300 nan 0.000 0.590 68 M N -0.063 119.451 119.600 -0.143 0.000 2.342 68 M HA 0.329 4.809 4.480 -0.000 0.000 0.332 68 M C 0.405 176.519 176.300 -0.310 0.000 1.166 68 M CA -0.581 54.608 55.300 -0.185 0.000 1.086 68 M CB 1.427 33.923 32.600 -0.174 0.000 1.541 68 M HN -0.044 nan 8.290 nan 0.000 0.462 69 S N -0.599 114.957 115.700 -0.239 0.000 2.767 69 S HA 0.372 4.842 4.470 -0.000 0.000 0.300 69 S C 0.268 174.776 174.600 -0.154 0.000 1.123 69 S CA -0.858 57.227 58.200 -0.191 0.000 0.992 69 S CB 1.120 64.287 63.200 -0.055 0.000 1.138 69 S HN 0.668 nan 8.310 nan 0.000 0.550 70 D N 1.064 121.385 120.400 -0.132 0.000 2.123 70 D HA -0.050 4.590 4.640 -0.000 0.000 0.196 70 D C 2.197 178.192 176.300 -0.507 0.000 0.992 70 D CA 1.788 55.531 54.000 -0.427 0.000 0.833 70 D CB -0.884 39.673 40.800 -0.404 0.000 0.954 70 D HN 0.672 nan 8.370 nan 0.000 0.455 71 A N 0.578 123.300 122.820 -0.164 0.000 1.908 71 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 71 A C 2.470 180.050 177.584 -0.006 0.000 1.181 71 A CA 2.048 54.081 52.037 -0.006 0.000 0.627 71 A CB -0.605 18.423 19.000 0.048 0.000 0.818 71 A HN 0.180 nan 8.150 nan 0.000 0.445 72 S N -0.368 115.308 115.700 -0.039 0.000 2.383 72 S HA -0.063 4.407 4.470 -0.000 0.000 0.227 72 S C 1.803 176.420 174.600 0.028 0.000 1.026 72 S CA 1.293 59.500 58.200 0.012 0.000 0.981 72 S CB -0.456 62.738 63.200 -0.011 0.000 0.818 72 S HN 0.541 nan 8.310 nan 0.000 0.472 73 I N 0.410 120.914 120.570 -0.111 0.000 2.179 73 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 73 I C 2.064 178.223 176.117 0.070 0.000 1.088 73 I CA 1.379 62.619 61.300 -0.100 0.000 1.357 73 I CB -0.470 37.370 38.000 -0.267 0.000 1.051 73 I HN 0.266 nan 8.210 nan 0.000 0.409 74 Y N 0.890 121.227 120.300 0.063 0.000 2.181 74 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 74 Y C 2.682 178.620 175.900 0.064 0.000 1.146 74 Y CA 0.812 58.942 58.100 0.051 0.000 1.164 74 Y CB -1.348 37.121 38.460 0.015 0.000 0.982 74 Y HN 0.128 nan 8.280 nan 0.000 0.515 75 A N -0.629 122.325 122.820 0.224 0.000 1.930 75 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 75 A C 2.198 179.861 177.584 0.132 0.000 1.175 75 A CA 1.252 53.369 52.037 0.133 0.000 0.627 75 A CB -1.291 17.769 19.000 0.100 0.000 0.815 75 A HN 0.447 nan 8.150 nan 0.000 0.443 76 F N 0.520 120.510 119.950 0.067 0.000 2.113 76 F HA -0.117 4.410 4.527 -0.000 0.000 0.297 76 F C 1.924 177.790 175.800 0.111 0.000 1.103 76 F CA 1.731 59.803 58.000 0.119 0.000 1.248 76 F CB -0.161 38.901 39.000 0.104 0.000 0.999 76 F HN 0.133 nan 8.300 nan 0.000 0.475 77 L N -0.748 120.682 121.223 0.345 0.000 2.083 77 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 77 L C 2.475 179.384 176.870 0.065 0.000 1.083 77 L CA 1.324 56.296 54.840 0.221 0.000 0.752 77 L CB -0.859 41.332 42.059 0.221 0.000 0.899 77 L HN 0.082 nan 8.230 nan 0.000 0.433 78 S N -0.504 115.220 115.700 0.041 0.000 2.383 78 S HA -0.179 4.291 4.470 -0.000 0.000 0.227 78 S C 1.920 176.452 174.600 -0.114 0.000 1.026 78 S CA 1.345 59.530 58.200 -0.025 0.000 0.981 78 S CB -0.157 63.032 63.200 -0.019 0.000 0.818 78 S HN 0.353 nan 8.310 nan 0.000 0.472 79 M N 1.379 120.849 119.600 -0.216 0.000 2.132 79 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 79 M C 1.954 177.973 176.300 -0.469 0.000 1.065 79 M CA 1.397 56.428 55.300 -0.448 0.000 1.122 79 M CB -0.135 31.996 32.600 -0.781 0.000 1.365 79 M HN 0.233 nan 8.290 nan 0.000 0.411 80 E N -0.138 119.867 120.200 -0.326 0.000 2.085 80 E HA -0.269 4.080 4.350 -0.000 0.000 0.194 80 E C 2.023 178.566 176.600 -0.094 0.000 0.994 80 E CA 1.647 57.950 56.400 -0.160 0.000 0.801 80 E CB -0.155 29.535 29.700 -0.017 0.000 0.743 80 E HN 0.683 nan 8.360 nan 0.000 0.453 81 Q N 0.017 119.777 119.800 -0.067 0.000 2.079 81 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 81 Q C 2.213 178.195 176.000 -0.029 0.000 0.974 81 Q CA 1.237 57.025 55.803 -0.024 0.000 0.840 81 Q CB -0.128 28.606 28.738 -0.007 0.000 0.898 81 Q HN 0.220 nan 8.270 nan 0.000 0.430 82 A N 0.886 123.665 122.820 -0.068 0.000 1.902 82 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 82 A C 2.030 179.605 177.584 -0.015 0.000 1.181 82 A CA 1.181 53.198 52.037 -0.032 0.000 0.623 82 A CB -0.638 18.339 19.000 -0.040 0.000 0.818 82 A HN 0.310 nan 8.150 nan 0.000 0.443 83 I N -0.336 120.172 120.570 -0.104 0.000 2.226 83 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 83 I C 2.962 179.080 176.117 0.001 0.000 1.100 83 I CA 1.089 62.332 61.300 -0.095 0.000 1.374 83 I CB -0.336 37.504 38.000 -0.266 0.000 1.057 83 I HN 0.356 nan 8.210 nan 0.000 0.413 84 A N 0.249 123.072 122.820 0.005 0.000 1.898 84 A HA -0.280 4.040 4.320 -0.000 0.000 0.216 84 A C 2.000 179.615 177.584 0.051 0.000 1.181 84 A CA 2.246 54.305 52.037 0.038 0.000 0.620 84 A CB -0.648 18.373 19.000 0.034 0.000 0.819 84 A HN 0.441 nan 8.150 nan 0.000 0.442 85 D N -0.379 120.057 120.400 0.060 0.000 2.183 85 D HA 0.063 4.703 4.640 -0.000 0.000 0.203 85 D C 1.821 178.192 176.300 0.118 0.000 0.969 85 D CA 1.265 55.326 54.000 0.101 0.000 0.842 85 D CB -0.132 40.752 40.800 0.138 0.000 0.957 85 D HN 0.321 nan 8.370 nan 0.000 0.484 86 A N -0.556 122.322 122.820 0.096 0.000 2.123 86 A HA 0.383 4.703 4.320 -0.000 0.000 0.214 86 A C 1.807 179.435 177.584 0.074 0.000 1.152 86 A CA 0.987 53.077 52.037 0.089 0.000 0.728 86 A CB -0.576 18.460 19.000 0.059 0.000 0.814 86 A HN 0.453 nan 8.150 nan 0.000 0.464 87 G N -0.827 108.015 108.800 0.071 0.000 2.225 87 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.264 87 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.264 87 G C -0.133 174.820 174.900 0.087 0.000 1.060 87 G CA 0.372 45.513 45.100 0.067 0.000 0.833 87 G HN 0.461 nan 8.290 nan 0.000 0.498 88 L N 1.231 122.524 121.223 0.118 0.000 2.295 88 L HA 0.625 4.964 4.340 -0.000 0.000 0.285 88 L C 1.001 178.021 176.870 0.250 0.000 1.035 88 L CA -0.411 54.542 54.840 0.188 0.000 0.806 88 L CB 1.780 43.974 42.059 0.224 0.000 1.214 88 L HN 0.404 nan 8.230 nan 0.000 0.426 89 S N 1.705 117.532 115.700 0.213 0.000 2.617 89 S HA 0.466 4.936 4.470 -0.000 0.000 0.283 89 S C -2.066 172.591 174.600 0.096 0.000 1.189 89 S CA -1.421 56.873 58.200 0.156 0.000 1.036 89 S CB 1.725 64.969 63.200 0.073 0.000 1.014 89 S HN 0.349 nan 8.310 nan 0.000 0.522 90 P HA -0.227 nan 4.420 nan 0.000 0.218 90 P C 1.336 178.405 177.300 -0.385 0.000 1.154 90 P CA 1.550 64.406 63.100 -0.405 0.000 0.872 90 P CB -0.072 31.512 31.700 -0.194 0.000 0.790 91 E N -0.717 119.384 120.200 -0.165 0.000 2.472 91 E HA -0.063 4.287 4.350 -0.000 0.000 0.200 91 E C 1.613 178.169 176.600 -0.072 0.000 1.046 91 E CA 1.207 57.539 56.400 -0.114 0.000 0.871 91 E CB -0.700 28.966 29.700 -0.057 0.000 0.806 91 E HN 0.243 nan 8.360 nan 0.000 0.533 92 A N 1.127 123.925 122.820 -0.037 0.000 1.924 92 A HA 0.003 4.323 4.320 -0.000 0.000 0.211 92 A C 1.867 179.518 177.584 0.112 0.000 1.198 92 A CA 0.745 52.822 52.037 0.068 0.000 0.657 92 A CB -0.499 18.588 19.000 0.145 0.000 0.852 92 A HN 0.394 nan 8.150 nan 0.000 0.454 93 Y N -0.677 119.666 120.300 0.071 0.000 2.481 93 Y HA 0.431 4.981 4.550 -0.000 0.000 0.258 93 Y C 0.769 176.697 175.900 0.047 0.000 1.103 93 Y CA -0.486 57.668 58.100 0.090 0.000 1.287 93 Y CB -0.308 38.273 38.460 0.201 0.000 1.108 93 Y HN 0.200 nan 8.280 nan 0.000 0.529 94 Q N 2.112 121.640 119.800 -0.452 0.000 2.293 94 Q HA 0.151 4.491 4.340 -0.000 0.000 0.251 94 Q C -0.169 175.657 176.000 -0.289 0.000 0.930 94 Q CA -0.272 55.332 55.803 -0.331 0.000 0.893 94 Q CB 0.397 28.880 28.738 -0.424 0.000 1.215 94 Q HN 0.385 nan 8.270 nan 0.000 0.425 95 N N 1.789 120.195 118.700 -0.490 0.000 2.727 95 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 95 N C -1.109 174.165 175.510 -0.394 0.000 1.048 95 N CA 0.726 53.205 53.050 -0.952 0.000 0.714 95 N CB -1.081 37.106 38.487 -0.501 0.000 0.959 95 N HN 0.569 nan 8.380 nan 0.000 0.544 96 N N 0.287 118.877 118.700 -0.183 0.000 2.479 96 N HA 0.309 5.049 4.740 -0.000 0.000 0.261 96 N C -1.920 173.639 175.510 0.081 0.000 0.979 96 N CA -1.906 51.142 53.050 -0.004 0.000 0.930 96 N CB 1.566 40.066 38.487 0.022 0.000 1.172 96 N HN -0.160 nan 8.380 nan 0.000 0.499 97 P HA -0.017 nan 4.420 nan 0.000 0.223 97 P C 0.614 177.949 177.300 0.058 0.000 1.144 97 P CA 0.919 64.084 63.100 0.109 0.000 0.783 97 P CB 0.373 32.125 31.700 0.088 0.000 0.771 98 R N -0.964 119.555 120.500 0.032 0.000 2.334 98 R HA 0.205 4.545 4.340 -0.000 0.000 0.220 98 R C -0.142 176.131 176.300 -0.045 0.000 0.917 98 R CA 0.098 56.190 56.100 -0.014 0.000 1.073 98 R CB 0.027 30.309 30.300 -0.031 0.000 1.056 98 R HN 0.139 nan 8.270 nan 0.000 0.506 99 V N 0.364 120.281 119.914 0.005 0.000 2.407 99 V HA 0.602 4.722 4.120 -0.000 0.000 0.291 99 V C 0.428 176.558 176.094 0.059 0.000 1.018 99 V CA -0.798 61.507 62.300 0.008 0.000 0.842 99 V CB 1.688 33.572 31.823 0.102 0.000 0.996 99 V HN 0.286 nan 8.190 nan 0.000 0.426 100 G N 3.235 112.038 108.800 0.005 0.000 3.108 100 G HA2 0.852 4.812 3.960 -0.000 0.000 0.268 100 G HA3 0.852 4.812 3.960 -0.000 0.000 0.268 100 G C -1.654 173.276 174.900 0.049 0.000 1.361 100 G CA -0.791 44.319 45.100 0.017 0.000 1.047 100 G HN 0.696 nan 8.290 nan 0.000 0.540 101 L N -0.358 120.851 121.223 -0.023 0.000 2.505 101 L HA 0.695 5.034 4.340 -0.000 0.000 0.266 101 L C -1.562 175.214 176.870 -0.157 0.000 0.954 101 L CA -0.731 54.098 54.840 -0.018 0.000 0.852 101 L CB 1.787 43.861 42.059 0.024 0.000 1.282 101 L HN 0.429 nan 8.230 nan 0.000 0.403 102 I N 5.349 125.829 120.570 -0.150 0.000 2.476 102 I HA 0.735 4.905 4.170 -0.000 0.000 0.281 102 I C -0.497 175.577 176.117 -0.071 0.000 1.040 102 I CA -0.290 60.894 61.300 -0.193 0.000 1.094 102 I CB 1.722 39.580 38.000 -0.237 0.000 1.219 102 I HN 0.676 nan 8.210 nan 0.000 0.450 103 A N 4.291 127.094 122.820 -0.027 0.000 2.520 103 A HA 0.960 5.279 4.320 -0.000 0.000 0.298 103 A C -0.617 176.990 177.584 0.038 0.000 1.051 103 A CA -0.440 51.599 52.037 0.004 0.000 0.690 103 A CB 1.860 20.859 19.000 -0.002 0.000 1.281 103 A HN 0.739 nan 8.150 nan 0.000 0.402 104 G N -0.222 108.606 108.800 0.046 0.000 2.827 104 G HA2 0.836 4.796 3.960 -0.000 0.000 0.296 104 G HA3 0.836 4.796 3.960 -0.000 0.000 0.296 104 G C -0.479 174.453 174.900 0.054 0.000 1.362 104 G CA 0.161 45.298 45.100 0.061 0.000 0.809 104 G HN 1.880 nan 8.290 nan 0.000 0.522 105 S N -2.161 113.574 115.700 0.058 0.000 2.661 105 S HA 0.697 5.167 4.470 -0.000 0.000 0.285 105 S C 0.981 175.614 174.600 0.055 0.000 1.138 105 S CA 0.263 58.495 58.200 0.054 0.000 0.855 105 S CB 1.475 64.710 63.200 0.058 0.000 1.136 105 S HN 1.449 nan 8.310 nan 0.000 0.484 106 G N -0.217 108.612 108.800 0.049 0.000 2.411 106 G HA2 0.339 4.299 3.960 -0.000 0.000 0.213 106 G HA3 0.339 4.299 3.960 -0.000 0.000 0.213 106 G C 0.885 175.825 174.900 0.067 0.000 1.166 106 G CA 0.390 45.522 45.100 0.053 0.000 0.802 106 G HN 1.231 nan 8.290 nan 0.000 0.533 107 G N -1.135 107.707 108.800 0.071 0.000 3.441 107 G HA2 0.467 4.427 3.960 -0.000 0.000 0.263 107 G HA3 0.467 4.427 3.960 -0.000 0.000 0.263 107 G C 1.041 175.979 174.900 0.063 0.000 1.014 107 G CA 0.799 45.941 45.100 0.070 0.000 0.833 107 G HN 1.107 nan 8.290 nan 0.000 0.514 108 G N 0.452 109.290 108.800 0.063 0.000 2.601 108 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.306 108 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.306 108 G C 0.434 175.378 174.900 0.073 0.000 1.172 108 G CA 0.779 45.917 45.100 0.064 0.000 0.966 108 G HN 1.474 nan 8.290 nan 0.000 0.542 109 S N 1.477 117.229 115.700 0.086 0.000 2.312 109 S HA 0.645 5.115 4.470 -0.000 0.000 0.173 109 S C -1.388 173.267 174.600 0.092 0.000 1.488 109 S CA 0.094 58.364 58.200 0.116 0.000 1.239 109 S CB 1.725 65.047 63.200 0.202 0.000 1.215 109 S HN 0.261 nan 8.310 nan 0.000 0.438 110 P HA -0.088 nan 4.420 nan 0.000 0.216 110 P C 1.541 178.795 177.300 -0.077 0.000 1.150 110 P CA 0.652 63.738 63.100 -0.024 0.000 0.837 110 P CB 0.128 31.793 31.700 -0.058 0.000 0.786 111 R N -0.790 119.642 120.500 -0.114 0.000 2.083 111 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 111 R C 1.838 177.992 176.300 -0.243 0.000 1.137 111 R CA 1.792 57.745 56.100 -0.245 0.000 0.951 111 R CB -1.013 29.104 30.300 -0.305 0.000 0.851 111 R HN 0.105 nan 8.270 nan 0.000 0.434 112 F N 0.209 120.168 119.950 0.015 0.000 2.456 112 F HA 0.010 4.536 4.527 -0.000 0.000 0.298 112 F C 2.483 178.375 175.800 0.154 0.000 1.104 112 F CA 0.644 58.700 58.000 0.094 0.000 1.435 112 F CB -0.049 38.969 39.000 0.031 0.000 1.078 112 F HN 0.167 nan 8.300 nan 0.000 0.546 113 Q N 0.555 120.478 119.800 0.205 0.000 2.123 113 Q HA -0.093 4.247 4.340 -0.000 0.000 0.199 113 Q C 2.096 178.152 176.000 0.094 0.000 0.966 113 Q CA 1.592 57.480 55.803 0.140 0.000 0.845 113 Q CB -0.534 28.254 28.738 0.083 0.000 0.907 113 Q HN 0.259 nan 8.270 nan 0.000 0.439 114 V N 0.667 120.608 119.914 0.045 0.000 2.453 114 V HA -0.163 3.957 4.120 -0.000 0.000 0.247 114 V C 2.018 178.139 176.094 0.045 0.000 1.048 114 V CA 1.649 63.956 62.300 0.011 0.000 1.049 114 V CB -0.808 30.975 31.823 -0.067 0.000 0.672 114 V HN 0.449 nan 8.190 nan 0.000 0.457 115 F N 2.255 122.166 119.950 -0.065 0.000 2.161 115 F HA -0.059 4.468 4.527 -0.000 0.000 0.300 115 F C 2.106 177.921 175.800 0.026 0.000 1.089 115 F CA 1.733 59.708 58.000 -0.043 0.000 1.282 115 F CB -0.766 38.167 39.000 -0.112 0.000 1.010 115 F HN 0.124 nan 8.300 nan 0.000 0.485 116 G N -0.126 108.684 108.800 0.017 0.000 2.421 116 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 116 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 116 G C 1.803 176.616 174.900 -0.145 0.000 1.171 116 G CA 0.784 45.833 45.100 -0.084 0.000 0.775 116 G HN 0.617 nan 8.290 nan 0.000 0.543 117 A N 0.830 123.607 122.820 -0.072 0.000 1.930 117 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 117 A C 2.087 179.616 177.584 -0.093 0.000 1.175 117 A CA 2.016 54.017 52.037 -0.060 0.000 0.627 117 A CB -0.325 18.664 19.000 -0.019 0.000 0.815 117 A HN 0.261 nan 8.150 nan 0.000 0.443 118 D N 0.179 120.506 120.400 -0.121 0.000 2.117 118 D HA -0.032 4.608 4.640 -0.000 0.000 0.197 118 D C 2.248 178.441 176.300 -0.179 0.000 0.987 118 D CA 1.549 55.480 54.000 -0.115 0.000 0.829 118 D CB -0.397 40.354 40.800 -0.083 0.000 0.961 118 D HN 0.399 nan 8.370 nan 0.000 0.460 119 A N 0.556 123.169 122.820 -0.345 0.000 1.898 119 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 119 A C 2.130 179.600 177.584 -0.190 0.000 1.181 119 A CA 1.696 53.524 52.037 -0.348 0.000 0.620 119 A CB -0.549 18.065 19.000 -0.643 0.000 0.819 119 A HN 0.166 nan 8.150 nan 0.000 0.442 120 M N 0.045 119.546 119.600 -0.165 0.000 2.149 120 M HA -0.088 4.392 4.480 -0.000 0.000 0.261 120 M C 1.763 178.023 176.300 -0.066 0.000 1.064 120 M CA 1.523 56.767 55.300 -0.093 0.000 1.102 120 M CB -0.470 32.088 32.600 -0.070 0.000 1.369 120 M HN 0.357 nan 8.290 nan 0.000 0.408 121 R N -0.009 120.451 120.500 -0.066 0.000 2.313 121 R HA 0.209 4.549 4.340 -0.000 0.000 0.199 121 R C 0.949 177.226 176.300 -0.039 0.000 0.958 121 R CA 0.251 56.325 56.100 -0.043 0.000 1.047 121 R CB -0.437 29.843 30.300 -0.033 0.000 0.955 121 R HN 0.463 nan 8.270 nan 0.000 0.481 122 G N 1.046 109.816 108.800 -0.051 0.000 2.557 122 G HA2 0.152 4.112 3.960 -0.000 0.000 0.292 122 G HA3 0.152 4.112 3.960 -0.000 0.000 0.292 122 G C -1.505 173.378 174.900 -0.028 0.000 1.237 122 G CA -1.054 44.023 45.100 -0.038 0.000 0.978 122 G HN -0.077 nan 8.290 nan 0.000 0.498 123 P HA -0.027 nan 4.420 nan 0.000 0.226 123 P C 1.184 178.475 177.300 -0.015 0.000 1.153 123 P CA 0.625 63.717 63.100 -0.014 0.000 0.777 123 P CB 0.365 32.060 31.700 -0.009 0.000 0.794 124 R N -0.525 119.964 120.500 -0.018 0.000 2.297 124 R HA 0.163 4.503 4.340 -0.000 0.000 0.197 124 R C 1.689 177.976 176.300 -0.023 0.000 0.943 124 R CA 0.551 56.642 56.100 -0.016 0.000 1.038 124 R CB -0.431 29.864 30.300 -0.010 0.000 0.957 124 R HN 0.168 nan 8.270 nan 0.000 0.484 125 G N 2.122 110.902 108.800 -0.033 0.000 2.684 125 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.332 125 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.332 125 G C 0.923 175.800 174.900 -0.039 0.000 1.306 125 G CA 0.636 45.714 45.100 -0.037 0.000 1.002 125 G HN 0.254 nan 8.290 nan 0.000 0.545 126 L N 0.461 121.667 121.223 -0.029 0.000 2.081 126 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 126 L C 3.053 179.912 176.870 -0.019 0.000 1.080 126 L CA 2.376 57.202 54.840 -0.024 0.000 0.754 126 L CB -0.525 41.522 42.059 -0.019 0.000 0.893 126 L HN 0.555 nan 8.230 nan 0.000 0.433 127 K N -0.117 120.274 120.400 -0.014 0.000 2.147 127 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 127 K C 2.158 178.764 176.600 0.010 0.000 1.049 127 K CA 1.377 57.662 56.287 -0.004 0.000 0.936 127 K CB -0.231 32.268 32.500 -0.002 0.000 0.722 127 K HN 0.323 nan 8.250 nan 0.000 0.446 128 A N 0.909 123.726 122.820 -0.005 0.000 2.016 128 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 128 A C 2.305 179.892 177.584 0.005 0.000 1.162 128 A CA 0.755 52.791 52.037 -0.000 0.000 0.662 128 A CB -0.265 18.704 19.000 -0.052 0.000 0.812 128 A HN 0.042 nan 8.150 nan 0.000 0.450 129 V N -0.466 119.431 119.914 -0.028 0.000 2.307 129 V HA 0.207 4.327 4.120 -0.000 0.000 0.245 129 V C 1.607 177.806 176.094 0.174 0.000 1.045 129 V CA 1.143 63.449 62.300 0.010 0.000 1.024 129 V CB -1.886 29.929 31.823 -0.014 0.000 0.651 129 V HN 1.205 nan 8.190 nan 0.000 0.449 130 G N 0.660 109.507 108.800 0.078 0.000 2.781 130 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.683 130 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.683 130 G C -1.802 173.051 174.900 -0.079 0.000 1.390 130 G CA -0.097 45.018 45.100 0.026 0.000 0.850 130 G HN 0.320 nan 8.290 nan 0.000 0.557 131 P HA 0.278 nan 4.420 nan 0.000 0.258 131 P C -0.058 176.933 177.300 -0.515 0.000 1.416 131 P CA 0.482 63.335 63.100 -0.412 0.000 0.927 131 P CB -0.010 31.388 31.700 -0.505 0.000 1.444 132 Y N -1.639 118.645 120.300 -0.027 0.000 2.557 132 Y HA 0.127 4.677 4.550 -0.000 0.000 0.247 132 Y C 2.131 178.003 175.900 -0.047 0.000 1.164 132 Y CA -0.219 57.831 58.100 -0.082 0.000 1.218 132 Y CB -0.169 38.134 38.460 -0.261 0.000 1.210 132 Y HN -0.276 nan 8.280 nan 0.000 0.529 133 V N -1.218 118.772 119.914 0.128 0.000 2.515 133 V HA -0.209 3.911 4.120 -0.000 0.000 0.250 133 V C 2.070 178.228 176.094 0.106 0.000 1.058 133 V CA 1.530 63.914 62.300 0.140 0.000 1.064 133 V CB -0.675 31.292 31.823 0.239 0.000 0.675 133 V HN 0.222 nan 8.190 nan 0.000 0.461 134 V N 1.267 121.241 119.914 0.100 0.000 2.287 134 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 134 V C 2.805 178.948 176.094 0.083 0.000 1.053 134 V CA 2.651 65.002 62.300 0.087 0.000 1.027 134 V CB -1.364 30.504 31.823 0.075 0.000 0.646 134 V HN 0.807 nan 8.190 nan 0.000 0.447 135 T N -2.124 112.498 114.554 0.114 0.000 2.962 135 T HA -0.148 4.202 4.350 -0.000 0.000 0.270 135 T C 1.708 176.431 174.700 0.039 0.000 1.088 135 T CA 1.205 63.363 62.100 0.097 0.000 1.127 135 T CB -0.227 68.751 68.868 0.183 0.000 0.883 135 T HN 0.474 nan 8.240 nan 0.000 0.493 136 K N 0.950 121.342 120.400 -0.013 0.000 2.137 136 K HA 0.357 4.677 4.320 -0.000 0.000 0.202 136 K C 2.624 179.224 176.600 0.000 0.000 1.052 136 K CA 0.894 57.109 56.287 -0.121 0.000 0.961 136 K CB -0.116 32.119 32.500 -0.441 0.000 0.741 136 K HN 0.402 nan 8.250 nan 0.000 0.452 137 A N 1.787 124.645 122.820 0.063 0.000 2.030 137 A HA 0.085 4.405 4.320 -0.000 0.000 0.215 137 A C 1.194 178.822 177.584 0.074 0.000 1.164 137 A CA -0.087 52.011 52.037 0.102 0.000 0.697 137 A CB -0.404 18.676 19.000 0.132 0.000 0.827 137 A HN 0.313 nan 8.150 nan 0.000 0.457 138 M N -1.481 118.156 119.600 0.061 0.000 2.252 138 M HA 0.446 4.926 4.480 -0.000 0.000 0.333 138 M C 0.939 177.270 176.300 0.051 0.000 1.111 138 M CA 0.451 55.782 55.300 0.053 0.000 1.140 138 M CB 0.444 33.072 32.600 0.047 0.000 1.538 138 M HN 0.064 nan 8.290 nan 0.000 0.448 139 A N 2.216 125.066 122.820 0.050 0.000 2.070 139 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 139 A C 2.032 179.649 177.584 0.056 0.000 1.159 139 A CA 1.858 53.926 52.037 0.053 0.000 0.656 139 A CB -0.886 18.144 19.000 0.050 0.000 0.800 139 A HN 1.012 nan 8.150 nan 0.000 0.453 140 S N -1.064 114.669 115.700 0.055 0.000 2.634 140 S HA 0.298 4.768 4.470 -0.000 0.000 0.221 140 S C 1.646 176.278 174.600 0.053 0.000 0.952 140 S CA 0.572 58.810 58.200 0.062 0.000 0.930 140 S CB -0.291 62.950 63.200 0.067 0.000 0.780 140 S HN 0.563 nan 8.310 nan 0.000 0.498 141 G N 2.263 111.091 108.800 0.046 0.000 2.513 141 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 141 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 141 G C 1.313 176.237 174.900 0.041 0.000 1.160 141 G CA 1.232 46.354 45.100 0.036 0.000 0.767 141 G HN 0.475 nan 8.290 nan 0.000 0.571 142 V N 1.659 121.602 119.914 0.048 0.000 2.392 142 V HA -0.229 3.891 4.120 -0.000 0.000 0.249 142 V C 3.246 179.376 176.094 0.060 0.000 1.059 142 V CA 2.566 64.900 62.300 0.056 0.000 1.051 142 V CB -0.422 31.434 31.823 0.055 0.000 0.658 142 V HN 0.660 nan 8.190 nan 0.000 0.455 143 S N 0.249 115.981 115.700 0.054 0.000 2.404 143 S HA 0.051 4.521 4.470 -0.000 0.000 0.223 143 S C 2.122 176.752 174.600 0.051 0.000 1.040 143 S CA 0.875 59.103 58.200 0.046 0.000 0.957 143 S CB -0.292 62.933 63.200 0.042 0.000 0.826 143 S HN 0.515 nan 8.310 nan 0.000 0.491 144 A N 1.018 123.865 122.820 0.044 0.000 1.902 144 A HA -0.072 4.247 4.320 -0.000 0.000 0.217 144 A C 2.377 179.970 177.584 0.015 0.000 1.181 144 A CA 1.610 53.661 52.037 0.023 0.000 0.623 144 A CB -1.523 17.481 19.000 0.007 0.000 0.818 144 A HN 0.695 nan 8.150 nan 0.000 0.443 145 C N -1.326 117.994 119.300 0.033 0.000 2.456 145 C HA 0.131 4.591 4.460 -0.000 0.000 0.279 145 C C 2.334 177.413 174.990 0.147 0.000 1.427 145 C CA 0.718 59.763 59.018 0.045 0.000 1.778 145 C CB -1.237 26.529 27.740 0.043 0.000 1.842 145 C HN 0.537 nan 8.230 nan 0.000 0.531 146 L N 0.432 121.764 121.223 0.183 0.000 2.362 146 L HA 0.243 4.583 4.340 -0.000 0.000 0.204 146 L C 2.641 179.685 176.870 0.289 0.000 1.060 146 L CA 1.587 56.616 54.840 0.316 0.000 0.827 146 L CB -1.110 41.066 42.059 0.195 0.000 1.027 146 L HN 0.170 nan 8.230 nan 0.000 0.474 147 A N -0.938 121.971 122.820 0.149 0.000 1.933 147 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 147 A C 2.313 179.979 177.584 0.137 0.000 1.175 147 A CA 2.419 54.534 52.037 0.129 0.000 0.628 147 A CB -0.971 18.076 19.000 0.079 0.000 0.814 147 A HN 0.402 nan 8.150 nan 0.000 0.444 148 T N 0.444 115.047 114.554 0.083 0.000 2.668 148 T HA -0.073 4.277 4.350 -0.000 0.000 0.262 148 T C 0.009 174.729 174.700 0.034 0.000 1.045 148 T CA 1.693 63.814 62.100 0.034 0.000 1.152 148 T CB -1.082 67.753 68.868 -0.054 0.000 0.864 148 T HN 0.523 nan 8.240 nan 0.000 0.419 149 P HA -0.027 nan 4.420 nan 0.000 0.218 149 P C 0.871 178.092 177.300 -0.131 0.000 1.149 149 P CA 1.137 64.193 63.100 -0.074 0.000 0.817 149 P CB -0.286 31.363 31.700 -0.085 0.000 0.785 150 F N 0.437 120.427 119.950 0.066 0.000 2.804 150 F HA 0.144 4.671 4.527 -0.000 0.000 0.303 150 F C 0.918 176.771 175.800 0.089 0.000 1.154 150 F CA 0.079 58.118 58.000 0.064 0.000 1.401 150 F CB -0.281 38.682 39.000 -0.062 0.000 1.106 150 F HN -0.210 nan 8.300 nan 0.000 0.568 151 K N 0.422 120.925 120.400 0.171 0.000 3.096 151 K HA -0.199 4.120 4.320 -0.000 0.000 0.266 151 K C -0.403 176.270 176.600 0.122 0.000 1.043 151 K CA 0.334 56.684 56.287 0.105 0.000 0.758 151 K CB -2.271 30.219 32.500 -0.016 0.000 1.260 151 K HN 0.204 nan 8.250 nan 0.000 0.481 152 I N 1.274 121.969 120.570 0.208 0.000 2.496 152 I HA 0.027 4.197 4.170 -0.000 0.000 0.285 152 I C 1.903 178.209 176.117 0.314 0.000 1.080 152 I CA 0.343 61.773 61.300 0.216 0.000 1.404 152 I CB 0.317 38.424 38.000 0.178 0.000 1.403 152 I HN 0.240 nan 8.210 nan 0.000 0.539 153 H N 3.336 122.452 119.070 0.078 0.000 2.827 153 H HA 0.179 4.735 4.556 -0.000 0.000 0.269 153 H C 1.355 176.707 175.328 0.039 0.000 1.031 153 H CA -0.055 56.023 56.048 0.049 0.000 1.202 153 H CB 1.359 31.145 29.762 0.041 0.000 1.511 153 H HN 0.775 nan 8.280 nan 0.000 0.517 154 G N 1.110 110.002 108.800 0.154 0.000 2.735 154 G HA2 0.204 4.164 3.960 -0.000 0.000 0.192 154 G HA3 0.204 4.164 3.960 -0.000 0.000 0.192 154 G C 0.158 175.084 174.900 0.044 0.000 1.547 154 G CA 0.038 45.184 45.100 0.077 0.000 1.080 154 G HN 0.120 nan 8.290 nan 0.000 0.569 155 V N -0.622 119.291 119.914 -0.001 0.000 2.740 155 V HA 0.456 4.576 4.120 -0.000 0.000 0.303 155 V C -0.282 175.746 176.094 -0.110 0.000 1.054 155 V CA -0.385 61.890 62.300 -0.042 0.000 1.106 155 V CB 1.088 32.839 31.823 -0.119 0.000 0.957 155 V HN 0.719 nan 8.190 nan 0.000 0.486 156 N N 3.844 122.498 118.700 -0.077 0.000 2.594 156 N HA 0.544 5.284 4.740 -0.000 0.000 0.280 156 N C -1.151 174.390 175.510 0.052 0.000 1.156 156 N CA -0.596 52.416 53.050 -0.062 0.000 0.831 156 N CB 1.207 39.712 38.487 0.029 0.000 1.379 156 N HN 1.011 nan 8.380 nan 0.000 0.536 157 Y N -1.072 119.245 120.300 0.028 0.000 2.779 157 Y HA 0.655 5.205 4.550 -0.000 0.000 0.340 157 Y C -1.371 174.544 175.900 0.024 0.000 1.252 157 Y CA -1.186 56.928 58.100 0.023 0.000 1.072 157 Y CB 0.413 38.883 38.460 0.017 0.000 1.343 157 Y HN 0.118 nan 8.280 nan 0.000 0.450 158 S N 1.455 117.343 115.700 0.313 0.000 2.537 158 S HA 0.718 5.188 4.470 -0.000 0.000 0.301 158 S C -0.909 173.831 174.600 0.234 0.000 1.092 158 S CA -0.738 57.584 58.200 0.203 0.000 1.048 158 S CB 1.218 64.491 63.200 0.122 0.000 1.053 158 S HN 0.523 nan 8.310 nan 0.000 0.501 159 I N 1.840 122.521 120.570 0.185 0.000 2.441 159 I HA 0.470 4.640 4.170 -0.000 0.000 0.295 159 I C -0.140 176.048 176.117 0.117 0.000 0.994 159 I CA -0.323 61.068 61.300 0.151 0.000 1.144 159 I CB 1.995 40.097 38.000 0.170 0.000 1.314 159 I HN 0.478 nan 8.210 nan 0.000 0.445 160 S N 3.167 118.924 115.700 0.095 0.000 2.532 160 S HA 0.623 5.093 4.470 -0.000 0.000 0.299 160 S C -0.381 174.282 174.600 0.105 0.000 1.105 160 S CA -0.415 57.841 58.200 0.094 0.000 1.018 160 S CB 1.131 64.376 63.200 0.075 0.000 1.021 160 S HN 0.675 nan 8.310 nan 0.000 0.483 161 S N 2.684 118.466 115.700 0.136 0.000 2.607 161 S HA 0.615 5.085 4.470 -0.000 0.000 0.196 161 S C 0.505 175.190 174.600 0.142 0.000 0.911 161 S CA -0.008 58.293 58.200 0.168 0.000 1.133 161 S CB -0.226 63.159 63.200 0.309 0.000 1.612 161 S HN 1.909 nan 8.310 nan 0.000 0.437 162 A N 2.245 125.123 122.820 0.096 0.000 5.391 162 A HA -0.272 4.048 4.320 -0.000 0.000 0.315 162 A C 1.759 179.352 177.584 0.016 0.000 1.874 162 A CA 1.390 53.454 52.037 0.044 0.000 0.714 162 A CB -2.240 16.790 19.000 0.049 0.000 1.335 162 A HN 1.425 nan 8.150 nan 0.000 0.382 163 S N 0.093 115.794 115.700 0.002 0.000 2.507 163 S HA 0.235 4.705 4.470 -0.000 0.000 0.235 163 S C 1.712 176.320 174.600 0.014 0.000 0.988 163 S CA 1.649 59.887 58.200 0.064 0.000 0.944 163 S CB -0.328 63.021 63.200 0.248 0.000 0.762 163 S HN 1.758 nan 8.310 nan 0.000 0.526 164 A N 0.917 123.732 122.820 -0.008 0.000 2.267 164 A HA 0.196 4.515 4.320 -0.000 0.000 0.213 164 A C 1.942 179.501 177.584 -0.042 0.000 1.192 164 A CA 0.455 52.431 52.037 -0.101 0.000 0.851 164 A CB -0.710 18.210 19.000 -0.133 0.000 0.881 164 A HN 0.338 nan 8.150 nan 0.000 0.494 165 T N 1.534 116.126 114.554 0.062 0.000 2.481 165 T HA -0.284 4.066 4.350 -0.000 0.000 0.252 165 T C 2.247 176.985 174.700 0.063 0.000 1.242 165 T CA 2.849 65.008 62.100 0.099 0.000 1.170 165 T CB -0.590 68.318 68.868 0.067 0.000 0.860 165 T HN 0.814 nan 8.240 nan 0.000 0.422 166 S N 1.539 117.242 115.700 0.005 0.000 2.474 166 S HA 0.150 4.620 4.470 -0.000 0.000 0.235 166 S C 2.251 176.816 174.600 -0.059 0.000 0.997 166 S CA 0.830 59.016 58.200 -0.023 0.000 0.949 166 S CB -0.444 62.728 63.200 -0.046 0.000 0.766 166 S HN 0.582 nan 8.310 nan 0.000 0.517 167 A N 1.714 124.477 122.820 -0.095 0.000 1.897 167 A HA 0.019 4.339 4.320 -0.000 0.000 0.215 167 A C 1.923 179.443 177.584 -0.108 0.000 1.181 167 A CA 1.254 53.206 52.037 -0.142 0.000 0.620 167 A CB -0.984 17.888 19.000 -0.213 0.000 0.821 167 A HN 0.672 nan 8.150 nan 0.000 0.443 168 H N -1.572 117.514 119.070 0.027 0.000 2.423 168 H HA -0.129 4.427 4.556 -0.000 0.000 0.297 168 H C 2.186 177.498 175.328 -0.027 0.000 1.075 168 H CA 1.265 57.354 56.048 0.067 0.000 1.342 168 H CB -0.131 29.701 29.762 0.115 0.000 1.395 168 H HN 0.540 nan 8.280 nan 0.000 0.530 169 C N 0.269 119.619 119.300 0.084 0.000 2.429 169 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 169 C C 2.677 177.617 174.990 -0.083 0.000 1.262 169 C CA 0.755 59.782 59.018 0.015 0.000 1.733 169 C CB -0.798 26.944 27.740 0.003 0.000 2.010 169 C HN 0.529 nan 8.230 nan 0.000 0.483 170 I N 1.042 121.532 120.570 -0.132 0.000 2.252 170 I HA -0.095 4.075 4.170 -0.000 0.000 0.245 170 I C 2.739 178.651 176.117 -0.341 0.000 1.102 170 I CA 1.782 62.962 61.300 -0.200 0.000 1.385 170 I CB -0.956 36.932 38.000 -0.186 0.000 1.064 170 I HN 0.439 nan 8.210 nan 0.000 0.414 171 G N 0.532 108.982 108.800 -0.583 0.000 2.418 171 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.217 171 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.217 171 G C 1.456 175.935 174.900 -0.702 0.000 1.158 171 G CA 0.807 45.072 45.100 -1.391 0.000 0.771 171 G HN 0.399 nan 8.290 nan 0.000 0.545 172 N N 0.911 119.451 118.700 -0.267 0.000 2.188 172 N HA -0.066 4.674 4.740 -0.000 0.000 0.184 172 N C 2.545 178.018 175.510 -0.061 0.000 1.018 172 N CA 1.008 54.041 53.050 -0.030 0.000 0.858 172 N CB -0.101 38.442 38.487 0.092 0.000 0.989 172 N HN 0.250 nan 8.380 nan 0.000 0.426 173 A N 0.850 123.596 122.820 -0.123 0.000 1.902 173 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 173 A C 2.432 179.944 177.584 -0.121 0.000 1.181 173 A CA 1.175 53.135 52.037 -0.128 0.000 0.623 173 A CB -0.801 18.106 19.000 -0.154 0.000 0.818 173 A HN 0.179 nan 8.150 nan 0.000 0.443 174 V N 0.146 119.970 119.914 -0.151 0.000 2.287 174 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 174 V C 2.414 178.478 176.094 -0.050 0.000 1.053 174 V CA 2.430 64.662 62.300 -0.112 0.000 1.027 174 V CB -0.876 30.861 31.823 -0.143 0.000 0.646 174 V HN 0.659 nan 8.190 nan 0.000 0.447 175 E N -0.663 119.523 120.200 -0.022 0.000 2.110 175 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 175 E C 2.390 178.999 176.600 0.016 0.000 0.988 175 E CA 0.975 57.395 56.400 0.033 0.000 0.804 175 E CB -0.143 29.609 29.700 0.087 0.000 0.745 175 E HN 0.541 nan 8.360 nan 0.000 0.458 176 Q N 0.257 120.055 119.800 -0.003 0.000 2.124 176 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 176 Q C 2.235 178.221 176.000 -0.024 0.000 0.977 176 Q CA 1.116 56.915 55.803 -0.007 0.000 0.850 176 Q CB -0.129 28.592 28.738 -0.029 0.000 0.901 176 Q HN 0.431 nan 8.270 nan 0.000 0.429 177 I N 0.491 121.035 120.570 -0.043 0.000 2.286 177 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 177 I C 2.293 178.396 176.117 -0.024 0.000 1.104 177 I CA 0.876 62.147 61.300 -0.049 0.000 1.397 177 I CB -0.248 37.709 38.000 -0.071 0.000 1.072 177 I HN 0.213 nan 8.210 nan 0.000 0.417 178 Q N 0.573 120.366 119.800 -0.011 0.000 2.226 178 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 178 Q C 2.139 178.144 176.000 0.007 0.000 0.975 178 Q CA 1.191 56.996 55.803 0.004 0.000 0.866 178 Q CB -0.052 28.697 28.738 0.019 0.000 0.915 178 Q HN 0.545 nan 8.270 nan 0.000 0.440 179 L N -0.764 120.464 121.223 0.008 0.000 2.554 179 L HA 0.079 4.419 4.340 -0.000 0.000 0.226 179 L C 1.157 178.030 176.870 0.006 0.000 1.137 179 L CA 0.414 55.261 54.840 0.011 0.000 0.863 179 L CB -0.140 41.929 42.059 0.017 0.000 0.985 179 L HN 0.424 nan 8.230 nan 0.000 0.451 180 G N 0.278 109.077 108.800 -0.002 0.000 2.143 180 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.248 180 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.248 180 G C 0.983 175.880 174.900 -0.006 0.000 0.991 180 G CA 0.598 45.695 45.100 -0.005 0.000 0.689 180 G HN 0.394 nan 8.290 nan 0.000 0.522 181 K N -0.882 119.514 120.400 -0.007 0.000 2.243 181 K HA 0.107 4.427 4.320 -0.000 0.000 0.201 181 K C 0.988 177.576 176.600 -0.019 0.000 1.051 181 K CA 0.797 57.081 56.287 -0.004 0.000 0.970 181 K CB 0.076 32.582 32.500 0.009 0.000 0.755 181 K HN 0.444 nan 8.250 nan 0.000 0.465 182 Q N -0.284 119.491 119.800 -0.042 0.000 2.421 182 Q HA 0.164 4.504 4.340 -0.000 0.000 0.280 182 Q C -0.503 175.427 176.000 -0.117 0.000 1.085 182 Q CA -0.364 55.394 55.803 -0.075 0.000 0.807 182 Q CB 1.969 30.656 28.738 -0.086 0.000 1.405 182 Q HN -0.040 nan 8.270 nan 0.000 0.419 183 D N 0.105 120.394 120.400 -0.185 0.000 2.422 183 D HA 0.302 4.942 4.640 -0.000 0.000 0.218 183 D C 0.225 176.302 176.300 -0.372 0.000 1.047 183 D CA 0.680 54.499 54.000 -0.303 0.000 0.885 183 D CB 1.531 42.037 40.800 -0.491 0.000 1.035 183 D HN 0.356 nan 8.370 nan 0.000 0.502 184 I N 0.918 121.287 120.570 -0.335 0.000 2.607 184 I HA 0.267 4.436 4.170 -0.000 0.000 0.290 184 I C -1.242 174.653 176.117 -0.370 0.000 1.129 184 I CA -0.783 60.286 61.300 -0.385 0.000 1.042 184 I CB 3.284 41.017 38.000 -0.445 0.000 1.242 184 I HN -0.411 nan 8.210 nan 0.000 0.421 185 V N 5.806 125.467 119.914 -0.421 0.000 2.569 185 V HA 0.390 4.510 4.120 -0.000 0.000 0.301 185 V C -0.746 175.101 176.094 -0.412 0.000 1.044 185 V CA -0.595 61.505 62.300 -0.334 0.000 0.874 185 V CB 1.839 33.536 31.823 -0.210 0.000 1.002 185 V HN 0.388 nan 8.190 nan 0.000 0.424 186 F N 3.445 123.283 119.950 -0.186 0.000 2.444 186 F HA 0.667 5.194 4.527 -0.000 0.000 0.360 186 F C 0.765 176.456 175.800 -0.182 0.000 1.106 186 F CA -0.016 57.858 58.000 -0.210 0.000 1.170 186 F CB 1.078 39.911 39.000 -0.277 0.000 1.113 186 F HN 0.574 nan 8.300 nan 0.000 0.521 187 A N 2.756 125.554 122.820 -0.037 0.000 2.355 187 A HA 0.935 5.255 4.320 -0.000 0.000 0.317 187 A C 0.017 177.564 177.584 -0.061 0.000 1.094 187 A CA 0.081 52.079 52.037 -0.065 0.000 0.764 187 A CB 1.286 20.221 19.000 -0.108 0.000 1.230 187 A HN 0.973 nan 8.150 nan 0.000 0.448 188 G N -0.169 108.600 108.800 -0.051 0.000 2.435 188 G HA2 0.747 4.707 3.960 -0.000 0.000 0.228 188 G HA3 0.747 4.707 3.960 -0.000 0.000 0.228 188 G C -0.248 174.635 174.900 -0.028 0.000 1.198 188 G CA 0.385 45.454 45.100 -0.052 0.000 0.948 188 G HN 2.159 nan 8.290 nan 0.000 0.487 189 G N -2.229 106.560 108.800 -0.017 0.000 2.441 189 G HA2 0.817 4.777 3.960 -0.000 0.000 0.294 189 G HA3 0.817 4.777 3.960 -0.000 0.000 0.294 189 G C -0.623 174.296 174.900 0.031 0.000 1.393 189 G CA 0.545 45.651 45.100 0.010 0.000 0.796 189 G HN 2.023 nan 8.290 nan 0.000 0.494 190 G N -1.234 107.600 108.800 0.057 0.000 2.677 190 G HA2 0.667 4.627 3.960 -0.000 0.000 0.291 190 G HA3 0.667 4.627 3.960 -0.000 0.000 0.291 190 G C -1.985 172.978 174.900 0.105 0.000 1.435 190 G CA -0.333 44.832 45.100 0.107 0.000 0.826 190 G HN 0.690 nan 8.290 nan 0.000 0.491 191 E N -0.216 120.079 120.200 0.158 0.000 2.321 191 E HA 0.360 4.710 4.350 -0.000 0.000 0.281 191 E C -0.191 176.526 176.600 0.197 0.000 0.910 191 E CA -0.683 55.790 56.400 0.121 0.000 0.770 191 E CB 1.536 31.266 29.700 0.050 0.000 1.225 191 E HN 0.707 nan 8.360 nan 0.000 0.417 192 E N 2.965 123.249 120.200 0.141 0.000 2.371 192 E HA 0.395 4.745 4.350 -0.000 0.000 0.257 192 E C -0.744 175.922 176.600 0.110 0.000 1.134 192 E CA -0.804 55.683 56.400 0.145 0.000 0.919 192 E CB 1.097 30.835 29.700 0.063 0.000 1.025 192 E HN 0.239 nan 8.360 nan 0.000 0.438 193 L N 2.153 123.422 121.223 0.077 0.000 2.343 193 L HA 0.437 4.776 4.340 -0.000 0.000 0.278 193 L C -1.266 175.650 176.870 0.076 0.000 0.996 193 L CA -0.320 54.527 54.840 0.011 0.000 0.831 193 L CB 0.825 42.747 42.059 -0.229 0.000 1.232 193 L HN 0.930 nan 8.230 nan 0.000 0.413 194 C N 2.050 121.454 119.300 0.173 0.000 3.307 194 C HA 0.439 4.899 4.460 -0.000 0.000 0.333 194 C C 1.036 176.137 174.990 0.185 0.000 1.291 194 C CA -0.988 58.135 59.018 0.174 0.000 1.273 194 C CB 0.696 28.404 27.740 -0.053 0.000 1.580 194 C HN 1.032 nan 8.230 nan 0.000 0.481 195 W N 0.849 122.261 121.300 0.186 0.000 2.425 195 W HA 0.056 4.716 4.660 -0.000 0.000 0.277 195 W C 1.032 177.615 176.519 0.107 0.000 1.231 195 W CA 1.727 59.147 57.345 0.125 0.000 1.248 195 W CB -1.007 28.487 29.460 0.057 0.000 1.117 195 W HN 0.866 nan 8.180 nan 0.000 0.568 196 E N 0.840 120.441 120.200 -0.998 0.000 2.130 196 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 196 E C 2.333 178.776 176.600 -0.261 0.000 0.998 196 E CA 2.585 58.419 56.400 -0.943 0.000 0.806 196 E CB -0.637 28.543 29.700 -0.868 0.000 0.738 196 E HN 0.345 nan 8.360 nan 0.000 0.459 197 M N -0.670 118.873 119.600 -0.096 0.000 2.429 197 M HA 0.103 4.583 4.480 -0.000 0.000 0.265 197 M C 2.112 178.552 176.300 0.233 0.000 1.120 197 M CA 1.137 56.478 55.300 0.070 0.000 1.173 197 M CB 0.084 32.757 32.600 0.121 0.000 1.343 197 M HN 0.174 nan 8.290 nan 0.000 0.464 198 A N 0.662 123.651 122.820 0.283 0.000 1.908 198 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 198 A C 2.338 180.115 177.584 0.322 0.000 1.181 198 A CA 1.941 54.198 52.037 0.367 0.000 0.627 198 A CB -1.785 17.404 19.000 0.315 0.000 0.818 198 A HN 0.870 nan 8.150 nan 0.000 0.445 199 C N -0.639 118.828 119.300 0.279 0.000 2.410 199 C HA -0.086 4.374 4.460 -0.000 0.000 0.281 199 C C 2.184 177.269 174.990 0.159 0.000 1.318 199 C CA 1.083 60.243 59.018 0.236 0.000 1.776 199 C CB -1.620 26.310 27.740 0.316 0.000 1.942 199 C HN 0.657 nan 8.230 nan 0.000 0.508 200 E N 0.394 120.657 120.200 0.106 0.000 2.110 200 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 200 E C 1.785 178.346 176.600 -0.065 0.000 0.988 200 E CA 1.485 57.868 56.400 -0.029 0.000 0.804 200 E CB -0.295 29.310 29.700 -0.158 0.000 0.745 200 E HN 0.791 nan 8.360 nan 0.000 0.458 201 F N 1.001 121.021 119.950 0.116 0.000 2.206 201 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 201 F C 2.207 178.028 175.800 0.035 0.000 1.090 201 F CA 0.900 58.966 58.000 0.110 0.000 1.323 201 F CB -0.134 38.918 39.000 0.087 0.000 1.028 201 F HN -0.046 nan 8.300 nan 0.000 0.492 202 D N 0.334 120.856 120.400 0.203 0.000 2.144 202 D HA -0.150 4.489 4.640 -0.000 0.000 0.199 202 D C 2.271 178.621 176.300 0.082 0.000 0.984 202 D CA 1.268 55.331 54.000 0.104 0.000 0.834 202 D CB -0.221 40.639 40.800 0.101 0.000 0.955 202 D HN 0.175 nan 8.370 nan 0.000 0.465 203 A N 0.744 123.615 122.820 0.084 0.000 2.019 203 A HA -0.131 4.188 4.320 -0.000 0.000 0.219 203 A C 2.195 179.810 177.584 0.052 0.000 1.164 203 A CA 1.779 53.851 52.037 0.058 0.000 0.644 203 A CB -0.719 18.310 19.000 0.049 0.000 0.805 203 A HN 0.509 nan 8.150 nan 0.000 0.449 204 M N -2.845 116.797 119.600 0.070 0.000 2.431 204 M HA 0.457 4.937 4.480 -0.000 0.000 0.237 204 M C 0.981 177.330 176.300 0.081 0.000 1.130 204 M CA 0.622 55.964 55.300 0.070 0.000 1.002 204 M CB -0.010 32.640 32.600 0.083 0.000 1.524 204 M HN 0.584 nan 8.290 nan 0.000 0.482 205 G N 0.990 109.833 108.800 0.073 0.000 2.221 205 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.265 205 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.265 205 G C 0.708 175.645 174.900 0.063 0.000 1.041 205 G CA 0.382 45.514 45.100 0.054 0.000 0.807 205 G HN 0.782 nan 8.290 nan 0.000 0.502 206 A N -1.027 121.843 122.820 0.083 0.000 2.081 206 A HA 0.630 4.950 4.320 -0.000 0.000 0.214 206 A C 1.310 178.739 177.584 -0.257 0.000 1.158 206 A CA 0.684 52.757 52.037 0.060 0.000 0.724 206 A CB 0.158 19.348 19.000 0.317 0.000 0.826 206 A HN 0.660 nan 8.150 nan 0.000 0.463 207 L N 0.248 121.310 121.223 -0.267 0.000 2.357 207 L HA 0.322 4.662 4.340 -0.000 0.000 0.273 207 L C 0.748 177.540 176.870 -0.131 0.000 1.080 207 L CA -0.525 54.108 54.840 -0.344 0.000 0.803 207 L CB 1.429 43.341 42.059 -0.245 0.000 1.174 207 L HN 0.167 nan 8.230 nan 0.000 0.443 208 S N 0.319 115.971 115.700 -0.080 0.000 2.537 208 S HA 0.108 4.578 4.470 -0.000 0.000 0.286 208 S C 0.849 175.457 174.600 0.014 0.000 1.299 208 S CA 0.131 58.353 58.200 0.036 0.000 1.067 208 S CB 0.423 63.690 63.200 0.111 0.000 0.864 208 S HN 0.829 nan 8.310 nan 0.000 0.494 209 T N 1.654 116.211 114.554 0.005 0.000 2.969 209 T HA 0.309 4.659 4.350 -0.000 0.000 0.258 209 T C 1.030 175.657 174.700 -0.122 0.000 0.962 209 T CA -0.406 61.648 62.100 -0.076 0.000 0.903 209 T CB -0.115 68.698 68.868 -0.091 0.000 1.177 209 T HN 0.600 nan 8.240 nan 0.000 0.511 210 K N 0.370 120.671 120.400 -0.164 0.000 2.459 210 K HA 0.169 4.489 4.320 -0.000 0.000 0.193 210 K C -0.192 176.024 176.600 -0.640 0.000 1.030 210 K CA 0.601 56.625 56.287 -0.440 0.000 1.026 210 K CB 0.011 32.127 32.500 -0.640 0.000 0.809 210 K HN 0.496 nan 8.250 nan 0.000 0.504 211 Y N -0.128 120.168 120.300 -0.006 0.000 2.713 211 Y HA 0.216 4.766 4.550 -0.000 0.000 0.269 211 Y C 0.776 176.697 175.900 0.035 0.000 1.106 211 Y CA -0.717 57.392 58.100 0.014 0.000 1.174 211 Y CB -0.018 38.459 38.460 0.027 0.000 1.186 211 Y HN -0.013 nan 8.280 nan 0.000 0.555 212 N N 0.675 119.437 118.700 0.102 0.000 2.289 212 N HA -0.156 4.584 4.740 -0.000 0.000 0.184 212 N C 0.799 176.424 175.510 0.192 0.000 1.016 212 N CA 1.424 54.573 53.050 0.165 0.000 0.872 212 N CB 0.072 38.627 38.487 0.113 0.000 0.973 212 N HN 0.463 nan 8.380 nan 0.000 0.433 213 D N -0.364 120.097 120.400 0.102 0.000 2.277 213 D HA -0.016 4.624 4.640 -0.000 0.000 0.208 213 D C 0.470 176.811 176.300 0.068 0.000 0.962 213 D CA 0.849 54.878 54.000 0.048 0.000 0.865 213 D CB 0.051 40.858 40.800 0.011 0.000 0.939 213 D HN 0.304 nan 8.370 nan 0.000 0.510 214 T N -2.011 112.617 114.554 0.123 0.000 3.401 214 T HA 0.334 4.684 4.350 -0.000 0.000 0.341 214 T C -2.276 172.510 174.700 0.144 0.000 1.674 214 T CA -1.698 60.474 62.100 0.120 0.000 1.600 214 T CB 1.720 70.667 68.868 0.132 0.000 0.974 214 T HN -0.264 nan 8.240 nan 0.000 0.672 215 P HA -0.186 nan 4.420 nan 0.000 0.218 215 P C 1.372 178.737 177.300 0.109 0.000 1.152 215 P CA 1.329 64.525 63.100 0.160 0.000 0.857 215 P CB 0.120 31.937 31.700 0.195 0.000 0.787 216 E N -0.687 119.561 120.200 0.081 0.000 2.409 216 E HA -0.114 4.236 4.350 -0.000 0.000 0.198 216 E C 1.250 177.853 176.600 0.005 0.000 1.024 216 E CA 0.748 57.175 56.400 0.045 0.000 0.861 216 E CB -0.240 29.483 29.700 0.038 0.000 0.788 216 E HN 0.420 nan 8.360 nan 0.000 0.521 217 K N -0.192 120.202 120.400 -0.011 0.000 2.374 217 K HA 0.238 4.558 4.320 -0.000 0.000 0.202 217 K C 1.636 178.057 176.600 -0.299 0.000 1.040 217 K CA 0.176 56.394 56.287 -0.115 0.000 1.085 217 K CB 0.821 33.270 32.500 -0.084 0.000 0.873 217 K HN -0.027 nan 8.250 nan 0.000 0.539 218 A N 1.239 123.974 122.820 -0.141 0.000 1.873 218 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 218 A C 1.377 178.876 177.584 -0.142 0.000 1.186 218 A CA 1.143 53.104 52.037 -0.126 0.000 0.616 218 A CB -0.120 18.941 19.000 0.102 0.000 0.823 218 A HN 0.168 nan 8.150 nan 0.000 0.442 219 S N 0.442 116.102 115.700 -0.067 0.000 2.448 219 S HA 0.435 4.905 4.470 -0.000 0.000 0.279 219 S C 0.189 174.731 174.600 -0.098 0.000 1.195 219 S CA -0.573 57.600 58.200 -0.046 0.000 1.051 219 S CB -0.149 63.050 63.200 -0.003 0.000 0.948 219 S HN 0.496 nan 8.310 nan 0.000 0.493 220 R N 2.525 122.957 120.500 -0.112 0.000 2.627 220 R HA 0.224 4.564 4.340 -0.000 0.000 0.251 220 R C -0.688 175.547 176.300 -0.108 0.000 1.524 220 R CA -0.647 55.386 56.100 -0.111 0.000 1.606 220 R CB -0.825 29.383 30.300 -0.152 0.000 1.396 220 R HN 0.405 nan 8.270 nan 0.000 0.724 221 T N 2.071 116.521 114.554 -0.173 0.000 2.891 221 T HA -0.095 4.254 4.350 -0.000 0.000 0.296 221 T C -0.046 174.479 174.700 -0.291 0.000 1.025 221 T CA 0.965 62.837 62.100 -0.379 0.000 1.149 221 T CB -0.108 68.403 68.868 -0.595 0.000 1.007 221 T HN 0.568 nan 8.240 nan 0.000 0.528 222 Y N -1.334 118.964 120.300 -0.003 0.000 4.929 222 Y HA -0.210 4.340 4.550 -0.000 0.000 0.253 222 Y C 0.664 176.554 175.900 -0.016 0.000 0.946 222 Y CA 0.462 58.559 58.100 -0.005 0.000 1.905 222 Y CB -2.333 36.125 38.460 -0.003 0.000 1.400 222 Y HN 0.775 nan 8.280 nan 0.000 0.531 223 D N 0.259 120.703 120.400 0.073 0.000 2.302 223 D HA 0.605 5.245 4.640 -0.000 0.000 0.248 223 D C 1.256 177.542 176.300 -0.024 0.000 1.094 223 D CA 0.683 54.702 54.000 0.031 0.000 0.897 223 D CB 1.355 42.164 40.800 0.014 0.000 1.200 223 D HN 0.228 nan 8.370 nan 0.000 0.429 224 A N 2.946 125.695 122.820 -0.119 0.000 2.024 224 A HA -0.174 4.145 4.320 -0.000 0.000 0.220 224 A C 1.101 178.442 177.584 -0.404 0.000 1.164 224 A CA 1.390 53.253 52.037 -0.290 0.000 0.643 224 A CB -0.608 18.128 19.000 -0.441 0.000 0.806 224 A HN 0.789 nan 8.150 nan 0.000 0.451 225 H N -0.462 118.661 119.070 0.087 0.000 2.488 225 H HA 0.194 4.750 4.556 -0.000 0.000 0.294 225 H C 0.428 175.857 175.328 0.169 0.000 1.088 225 H CA -0.419 55.709 56.048 0.134 0.000 1.086 225 H CB 0.049 29.921 29.762 0.182 0.000 1.569 225 H HN 0.579 nan 8.280 nan 0.000 0.548 226 R N 1.437 122.018 120.500 0.135 0.000 2.643 226 R HA 0.028 4.368 4.340 -0.000 0.000 0.270 226 R C -0.509 175.890 176.300 0.164 0.000 1.061 226 R CA 0.182 56.348 56.100 0.111 0.000 1.107 226 R CB 0.489 30.809 30.300 0.032 0.000 0.999 226 R HN 0.236 nan 8.270 nan 0.000 0.460 227 D N 0.580 121.092 120.400 0.186 0.000 2.837 227 D HA 0.241 4.881 4.640 -0.000 0.000 0.340 227 D C 0.089 176.453 176.300 0.106 0.000 1.451 227 D CA -0.017 54.075 54.000 0.153 0.000 0.798 227 D CB 0.420 41.326 40.800 0.176 0.000 1.169 227 D HN 0.925 nan 8.370 nan 0.000 0.449 228 G N 0.357 109.217 108.800 0.100 0.000 2.440 228 G HA2 0.203 4.163 3.960 -0.000 0.000 0.684 228 G HA3 0.203 4.163 3.960 -0.000 0.000 0.684 228 G C -0.572 174.389 174.900 0.102 0.000 1.309 228 G CA -0.691 44.456 45.100 0.079 0.000 0.931 228 G HN 0.349 nan 8.290 nan 0.000 0.612 229 F N -0.616 119.376 119.950 0.070 0.000 2.368 229 F HA 0.815 5.342 4.527 -0.000 0.000 0.315 229 F C 0.273 176.101 175.800 0.046 0.000 1.145 229 F CA -1.472 56.552 58.000 0.041 0.000 1.095 229 F CB 1.235 40.271 39.000 0.060 0.000 1.286 229 F HN 0.421 nan 8.300 nan 0.000 0.530 230 V N 4.165 124.290 119.914 0.352 0.000 2.347 230 V HA 0.257 4.377 4.120 -0.000 0.000 0.280 230 V C 0.267 176.583 176.094 0.371 0.000 1.021 230 V CA -0.873 61.566 62.300 0.232 0.000 0.847 230 V CB 1.042 32.967 31.823 0.170 0.000 0.990 230 V HN 0.850 nan 8.190 nan 0.000 0.444 231 I N 4.613 125.359 120.570 0.293 0.000 2.752 231 I HA 0.457 4.627 4.170 -0.000 0.000 0.287 231 I C 0.549 176.781 176.117 0.191 0.000 1.188 231 I CA 0.567 62.031 61.300 0.274 0.000 1.427 231 I CB 0.811 38.928 38.000 0.195 0.000 1.365 231 I HN 0.818 nan 8.210 nan 0.000 0.585 232 A N 4.931 127.797 122.820 0.077 0.000 2.564 232 A HA 0.922 5.242 4.320 -0.000 0.000 0.288 232 A C -0.565 176.983 177.584 -0.060 0.000 1.164 232 A CA -0.066 51.972 52.037 0.002 0.000 0.712 232 A CB 1.428 20.433 19.000 0.009 0.000 1.303 232 A HN 0.821 nan 8.150 nan 0.000 0.418 233 G N -2.067 106.657 108.800 -0.127 0.000 2.866 233 G HA2 0.930 4.890 3.960 -0.000 0.000 0.289 233 G HA3 0.930 4.890 3.960 -0.000 0.000 0.289 233 G C -0.037 174.713 174.900 -0.250 0.000 1.396 233 G CA -0.184 44.842 45.100 -0.123 0.000 0.848 233 G HN 2.408 nan 8.290 nan 0.000 0.515 234 G N -2.273 106.336 108.800 -0.318 0.000 2.315 234 G HA2 0.597 4.557 3.960 -0.000 0.000 0.296 234 G HA3 0.597 4.557 3.960 -0.000 0.000 0.296 234 G C -0.226 174.589 174.900 -0.143 0.000 1.289 234 G CA 0.219 44.977 45.100 -0.570 0.000 0.996 234 G HN 2.084 nan 8.290 nan 0.000 0.487 235 G N -1.800 106.937 108.800 -0.104 0.000 2.695 235 G HA2 1.035 4.995 3.960 -0.000 0.000 0.290 235 G HA3 1.035 4.995 3.960 -0.000 0.000 0.290 235 G C -0.309 174.569 174.900 -0.037 0.000 1.410 235 G CA 0.372 45.482 45.100 0.017 0.000 0.844 235 G HN 2.141 nan 8.290 nan 0.000 0.478 236 G N -1.293 107.484 108.800 -0.039 0.000 2.703 236 G HA2 0.669 4.629 3.960 -0.000 0.000 0.294 236 G HA3 0.669 4.629 3.960 -0.000 0.000 0.294 236 G C -1.710 173.146 174.900 -0.072 0.000 1.451 236 G CA -0.604 44.449 45.100 -0.079 0.000 0.869 236 G HN 0.903 nan 8.290 nan 0.000 0.516 237 M N 1.002 120.551 119.600 -0.085 0.000 2.365 237 M HA 0.646 5.126 4.480 -0.000 0.000 0.287 237 M C -0.991 175.261 176.300 -0.080 0.000 1.154 237 M CA -0.665 54.590 55.300 -0.076 0.000 0.941 237 M CB 2.299 34.848 32.600 -0.085 0.000 1.704 237 M HN 1.170 nan 8.290 nan 0.000 0.479 238 V N 1.583 121.451 119.914 -0.077 0.000 2.914 238 V HA 0.913 5.033 4.120 -0.000 0.000 0.314 238 V C -1.178 174.862 176.094 -0.090 0.000 1.084 238 V CA -0.917 61.328 62.300 -0.092 0.000 0.963 238 V CB 1.909 33.655 31.823 -0.129 0.000 1.025 238 V HN 0.603 nan 8.190 nan 0.000 0.432 239 V N 3.379 123.228 119.914 -0.109 0.000 2.334 239 V HA 0.361 4.481 4.120 -0.000 0.000 0.267 239 V C 0.109 176.075 176.094 -0.213 0.000 1.040 239 V CA -0.376 61.785 62.300 -0.232 0.000 0.866 239 V CB 1.023 32.728 31.823 -0.197 0.000 1.019 239 V HN 0.727 nan 8.190 nan 0.000 0.468 240 V N 5.044 124.803 119.914 -0.259 0.000 2.406 240 V HA 0.457 4.577 4.120 -0.000 0.000 0.272 240 V C 0.104 176.063 176.094 -0.224 0.000 1.043 240 V CA -0.260 61.920 62.300 -0.199 0.000 0.915 240 V CB 1.215 32.927 31.823 -0.185 0.000 0.988 240 V HN 0.969 nan 8.190 nan 0.000 0.466 241 E N 2.913 123.017 120.200 -0.160 0.000 2.317 241 E HA 0.351 4.701 4.350 -0.000 0.000 0.270 241 E C -0.770 175.775 176.600 -0.090 0.000 0.885 241 E CA -0.760 55.550 56.400 -0.150 0.000 0.760 241 E CB 1.872 31.507 29.700 -0.109 0.000 1.227 241 E HN 0.682 nan 8.360 nan 0.000 0.434 242 E N 3.495 123.644 120.200 -0.086 0.000 2.384 242 E HA -0.024 4.326 4.350 -0.000 0.000 0.266 242 E C 0.797 177.404 176.600 0.013 0.000 1.012 242 E CA -0.098 56.281 56.400 -0.034 0.000 0.901 242 E CB 1.155 30.836 29.700 -0.031 0.000 0.967 242 E HN 0.623 nan 8.360 nan 0.000 0.435 243 L N 5.400 126.625 121.223 0.004 0.000 1.971 243 L HA -0.243 4.097 4.340 -0.000 0.000 0.215 243 L C 1.937 178.818 176.870 0.019 0.000 1.072 243 L CA 1.987 56.830 54.840 0.005 0.000 0.758 243 L CB -0.452 41.605 42.059 -0.004 0.000 0.889 243 L HN 0.559 nan 8.230 nan 0.000 0.433 244 E N -1.042 119.173 120.200 0.026 0.000 2.085 244 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 244 E C 2.241 178.858 176.600 0.028 0.000 0.994 244 E CA 1.427 57.839 56.400 0.020 0.000 0.801 244 E CB -0.740 28.972 29.700 0.020 0.000 0.743 244 E HN 0.673 nan 8.360 nan 0.000 0.453 245 H N 0.391 119.445 119.070 -0.027 0.000 2.387 245 H HA -0.010 4.546 4.556 -0.000 0.000 0.299 245 H C 1.777 177.087 175.328 -0.030 0.000 1.090 245 H CA 1.639 57.671 56.048 -0.027 0.000 1.332 245 H CB 0.246 29.987 29.762 -0.034 0.000 1.386 245 H HN 0.132 nan 8.280 nan 0.000 0.516 246 A N 0.955 123.831 122.820 0.094 0.000 1.897 246 A HA -0.033 4.286 4.320 -0.000 0.000 0.215 246 A C 2.838 180.409 177.584 -0.023 0.000 1.181 246 A CA 0.835 52.895 52.037 0.037 0.000 0.620 246 A CB -0.732 18.280 19.000 0.020 0.000 0.821 246 A HN 0.387 nan 8.150 nan 0.000 0.443 247 L N -0.617 120.591 121.223 -0.026 0.000 2.083 247 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 247 L C 3.057 179.896 176.870 -0.051 0.000 1.083 247 L CA 0.990 55.809 54.840 -0.035 0.000 0.752 247 L CB -0.538 41.504 42.059 -0.027 0.000 0.899 247 L HN 0.432 nan 8.230 nan 0.000 0.433 248 A N 0.951 123.725 122.820 -0.076 0.000 1.978 248 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 248 A C 2.172 179.689 177.584 -0.111 0.000 1.170 248 A CA 1.779 53.755 52.037 -0.101 0.000 0.636 248 A CB -0.513 18.400 19.000 -0.145 0.000 0.810 248 A HN 0.595 nan 8.150 nan 0.000 0.448 249 R N -1.267 119.160 120.500 -0.122 0.000 2.507 249 R HA 0.373 4.712 4.340 -0.000 0.000 0.298 249 R C 0.831 177.105 176.300 -0.044 0.000 0.999 249 R CA 0.493 56.540 56.100 -0.089 0.000 1.082 249 R CB -0.745 29.493 30.300 -0.104 0.000 1.246 249 R HN 0.664 nan 8.270 nan 0.000 0.553 250 G N 0.944 109.720 108.800 -0.040 0.000 2.323 250 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.292 250 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.292 250 G C 0.274 175.169 174.900 -0.009 0.000 1.040 250 G CA 0.293 45.379 45.100 -0.023 0.000 0.942 250 G HN 0.717 nan 8.290 nan 0.000 0.506 251 A N -0.320 122.493 122.820 -0.011 0.000 2.332 251 A HA 0.620 4.940 4.320 -0.000 0.000 0.258 251 A C 0.420 178.005 177.584 0.001 0.000 1.087 251 A CA 0.136 52.176 52.037 0.005 0.000 0.802 251 A CB 0.386 19.387 19.000 0.002 0.000 1.042 251 A HN 1.348 nan 8.150 nan 0.000 0.489 252 H N 0.818 119.830 119.070 -0.097 0.000 2.690 252 H HA 0.491 5.047 4.556 -0.000 0.000 0.314 252 H C -0.723 174.481 175.328 -0.207 0.000 1.069 252 H CA -0.321 55.621 56.048 -0.175 0.000 1.436 252 H CB 0.091 29.706 29.762 -0.245 0.000 1.462 252 H HN 0.404 nan 8.280 nan 0.000 0.511 253 I N 7.239 127.410 120.570 -0.666 0.000 2.328 253 I HA 0.020 4.190 4.170 -0.000 0.000 0.287 253 I C 0.076 175.803 176.117 -0.649 0.000 1.012 253 I CA -0.521 60.478 61.300 -0.502 0.000 1.195 253 I CB 0.831 38.694 38.000 -0.227 0.000 1.350 253 I HN 0.734 nan 8.210 nan 0.000 0.464 254 Y N 5.149 125.195 120.300 -0.424 0.000 2.163 254 Y HA 0.118 4.668 4.550 -0.000 0.000 0.288 254 Y C 1.305 177.115 175.900 -0.150 0.000 1.136 254 Y CA 1.122 59.069 58.100 -0.256 0.000 1.147 254 Y CB 0.114 38.499 38.460 -0.125 0.000 0.987 254 Y HN 0.681 nan 8.280 nan 0.000 0.509 255 A N -0.869 121.977 122.820 0.043 0.000 2.544 255 A HA 0.427 4.747 4.320 -0.000 0.000 0.291 255 A C -1.471 176.109 177.584 -0.007 0.000 1.055 255 A CA -0.803 51.240 52.037 0.010 0.000 0.651 255 A CB 0.636 19.653 19.000 0.029 0.000 1.296 255 A HN 0.082 nan 8.150 nan 0.000 0.431 256 E N 0.496 120.691 120.200 -0.009 0.000 2.191 256 E HA 0.631 4.981 4.350 -0.000 0.000 0.274 256 E C -1.235 175.362 176.600 -0.005 0.000 0.948 256 E CA -0.613 55.780 56.400 -0.012 0.000 0.802 256 E CB 1.009 30.703 29.700 -0.010 0.000 1.137 256 E HN 0.498 nan 8.360 nan 0.000 0.397 257 I N 5.516 126.080 120.570 -0.011 0.000 2.322 257 I HA 0.041 4.211 4.170 -0.000 0.000 0.292 257 I C 0.950 177.077 176.117 0.017 0.000 1.060 257 I CA -0.304 60.993 61.300 -0.004 0.000 1.309 257 I CB 1.066 39.049 38.000 -0.028 0.000 1.415 257 I HN 0.534 nan 8.210 nan 0.000 0.492 258 V N 2.627 122.560 119.914 0.031 0.000 3.578 258 V HA 0.541 4.660 4.120 -0.000 0.000 0.290 258 V C 0.643 176.776 176.094 0.065 0.000 1.376 258 V CA 0.084 62.409 62.300 0.042 0.000 1.083 258 V CB 0.036 31.879 31.823 0.033 0.000 0.911 258 V HN 0.727 nan 8.190 nan 0.000 0.433 259 G N -0.334 108.516 108.800 0.083 0.000 2.766 259 G HA2 0.535 4.495 3.960 -0.000 0.000 0.297 259 G HA3 0.535 4.495 3.960 -0.000 0.000 0.297 259 G C -2.315 172.693 174.900 0.180 0.000 1.431 259 G CA -0.555 44.612 45.100 0.113 0.000 1.042 259 G HN 0.347 nan 8.290 nan 0.000 0.542 260 Y N 1.380 121.695 120.300 0.026 0.000 2.330 260 Y HA 0.689 5.239 4.550 -0.000 0.000 0.324 260 Y C -0.200 175.721 175.900 0.036 0.000 1.093 260 Y CA -1.167 56.947 58.100 0.024 0.000 1.103 260 Y CB 1.796 40.270 38.460 0.023 0.000 1.183 260 Y HN 0.850 nan 8.280 nan 0.000 0.433 261 G N 3.102 111.768 108.800 -0.223 0.000 2.495 261 G HA2 0.756 4.716 3.960 -0.000 0.000 0.318 261 G HA3 0.756 4.716 3.960 -0.000 0.000 0.318 261 G C -1.744 172.945 174.900 -0.352 0.000 1.257 261 G CA -0.659 44.256 45.100 -0.308 0.000 0.962 261 G HN 1.147 nan 8.290 nan 0.000 0.483 262 A N 1.577 124.210 122.820 -0.312 0.000 2.476 262 A HA 0.824 5.144 4.320 -0.000 0.000 0.280 262 A C 0.018 177.591 177.584 -0.018 0.000 1.081 262 A CA -0.159 51.844 52.037 -0.056 0.000 0.753 262 A CB 1.080 20.054 19.000 -0.043 0.000 1.248 262 A HN 1.453 nan 8.150 nan 0.000 0.424 263 T N -1.314 113.270 114.554 0.051 0.000 2.858 263 T HA 0.862 5.212 4.350 -0.000 0.000 0.285 263 T C -0.119 174.611 174.700 0.050 0.000 1.052 263 T CA -0.578 61.535 62.100 0.022 0.000 1.009 263 T CB 1.796 70.665 68.868 0.001 0.000 1.241 263 T HN 1.228 nan 8.240 nan 0.000 0.542 264 S N -1.018 114.694 115.700 0.020 0.000 2.536 264 S HA 0.457 4.927 4.470 -0.000 0.000 0.287 264 S C -0.206 174.396 174.600 0.004 0.000 1.101 264 S CA -0.636 57.579 58.200 0.025 0.000 0.950 264 S CB 1.582 64.791 63.200 0.015 0.000 1.056 264 S HN 0.695 nan 8.310 nan 0.000 0.481 265 D N 2.613 123.015 120.400 0.004 0.000 2.162 265 D HA 0.168 4.808 4.640 -0.000 0.000 0.205 265 D C 1.390 177.685 176.300 -0.009 0.000 0.964 265 D CA 1.419 55.410 54.000 -0.014 0.000 0.847 265 D CB -0.516 40.273 40.800 -0.018 0.000 0.988 265 D HN 1.033 nan 8.370 nan 0.000 0.480 266 G N 0.264 109.065 108.800 0.001 0.000 2.338 266 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.296 266 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.296 266 G C 0.613 175.511 174.900 -0.004 0.000 1.040 266 G CA 0.854 45.954 45.100 -0.000 0.000 1.004 266 G HN 0.612 nan 8.290 nan 0.000 0.509 267 A N -0.846 121.972 122.820 -0.003 0.000 1.742 267 A HA 0.667 4.987 4.320 -0.000 0.000 0.167 267 A C 0.374 177.953 177.584 -0.007 0.000 1.913 267 A CA 1.098 53.130 52.037 -0.007 0.000 1.331 267 A CB 0.324 19.316 19.000 -0.013 0.000 0.968 267 A HN 0.565 nan 8.150 nan 0.000 0.739 268 D N -1.192 119.204 120.400 -0.008 0.000 2.198 268 D HA 0.518 5.157 4.640 -0.000 0.000 0.247 268 D C 1.036 177.327 176.300 -0.016 0.000 1.010 268 D CA -0.508 53.482 54.000 -0.016 0.000 0.880 268 D CB 0.936 41.723 40.800 -0.022 0.000 1.209 268 D HN 0.104 nan 8.370 nan 0.000 0.451 269 M N 2.110 121.688 119.600 -0.037 0.000 2.288 269 M HA 0.004 4.484 4.480 -0.000 0.000 0.266 269 M C 1.035 177.250 176.300 -0.142 0.000 1.072 269 M CA 0.876 56.149 55.300 -0.045 0.000 1.132 269 M CB 0.052 32.624 32.600 -0.047 0.000 1.386 269 M HN 0.360 nan 8.290 nan 0.000 0.432 270 V N -1.332 118.439 119.914 -0.238 0.000 3.572 270 V HA 0.311 4.431 4.120 -0.000 0.000 0.260 270 V C 0.573 176.517 176.094 -0.250 0.000 1.324 270 V CA 0.240 62.218 62.300 -0.537 0.000 1.068 270 V CB 0.567 32.064 31.823 -0.543 0.000 0.837 270 V HN 0.262 nan 8.190 nan 0.000 0.450 271 A N 1.796 124.570 122.820 -0.077 0.000 2.350 271 A HA 0.834 5.154 4.320 -0.000 0.000 0.324 271 A C -2.783 174.821 177.584 0.034 0.000 1.118 271 A CA -1.667 50.381 52.037 0.019 0.000 0.783 271 A CB 1.041 20.048 19.000 0.012 0.000 1.236 271 A HN 0.122 nan 8.150 nan 0.000 0.457 272 P HA 0.155 nan 4.420 nan 0.000 0.274 272 P C 0.515 177.791 177.300 -0.039 0.000 1.231 272 P CA -0.084 63.008 63.100 -0.012 0.000 0.790 272 P CB 1.486 33.156 31.700 -0.050 0.000 0.951 273 S N 0.264 115.922 115.700 -0.069 0.000 2.517 273 S HA 0.218 4.688 4.470 -0.000 0.000 0.214 273 S C 1.608 176.162 174.600 -0.075 0.000 0.991 273 S CA 0.673 58.840 58.200 -0.056 0.000 0.906 273 S CB -0.828 62.343 63.200 -0.048 0.000 0.789 273 S HN 0.753 nan 8.310 nan 0.000 0.513 274 G N 2.060 110.780 108.800 -0.134 0.000 2.458 274 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.237 274 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.237 274 G C 0.948 175.774 174.900 -0.124 0.000 1.113 274 G CA 0.605 45.622 45.100 -0.138 0.000 0.655 274 G HN 0.480 nan 8.290 nan 0.000 0.513 275 E N 1.664 121.810 120.200 -0.090 0.000 2.077 275 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 275 E C 2.648 179.199 176.600 -0.082 0.000 0.989 275 E CA 2.224 58.582 56.400 -0.070 0.000 0.800 275 E CB -0.975 28.695 29.700 -0.050 0.000 0.746 275 E HN 0.642 nan 8.360 nan 0.000 0.452 276 G N 0.585 109.323 108.800 -0.104 0.000 2.408 276 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 276 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 276 G C 1.724 176.550 174.900 -0.123 0.000 1.150 276 G CA 1.095 46.138 45.100 -0.096 0.000 0.776 276 G HN 0.416 nan 8.290 nan 0.000 0.542 277 A N 0.232 122.905 122.820 -0.244 0.000 1.930 277 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 277 A C 2.579 180.124 177.584 -0.066 0.000 1.175 277 A CA 1.673 53.541 52.037 -0.281 0.000 0.627 277 A CB -0.542 18.087 19.000 -0.617 0.000 0.815 277 A HN 0.228 nan 8.150 nan 0.000 0.443 278 V N -0.016 119.855 119.914 -0.072 0.000 2.295 278 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 278 V C 2.654 178.725 176.094 -0.038 0.000 1.049 278 V CA 2.275 64.550 62.300 -0.042 0.000 1.024 278 V CB -0.781 31.013 31.823 -0.048 0.000 0.648 278 V HN 0.526 nan 8.190 nan 0.000 0.447 279 R N -1.095 119.382 120.500 -0.040 0.000 2.081 279 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 279 R C 2.426 178.713 176.300 -0.021 0.000 1.131 279 R CA 1.714 57.794 56.100 -0.034 0.000 0.960 279 R CB -0.899 29.379 30.300 -0.037 0.000 0.856 279 R HN 0.562 nan 8.270 nan 0.000 0.436 280 C N 0.847 120.147 119.300 0.002 0.000 2.413 280 C HA -0.110 4.350 4.460 -0.000 0.000 0.277 280 C C 2.639 177.653 174.990 0.040 0.000 1.228 280 C CA 0.999 60.037 59.018 0.032 0.000 1.731 280 C CB -0.702 27.108 27.740 0.117 0.000 2.042 280 C HN 0.464 nan 8.230 nan 0.000 0.468 281 M N -0.010 119.628 119.600 0.063 0.000 2.159 281 M HA -0.146 4.333 4.480 -0.000 0.000 0.263 281 M C 2.272 178.566 176.300 -0.010 0.000 1.063 281 M CA 1.760 57.092 55.300 0.054 0.000 1.110 281 M CB -0.485 32.163 32.600 0.079 0.000 1.374 281 M HN 0.384 nan 8.290 nan 0.000 0.411 282 K N 0.111 120.487 120.400 -0.040 0.000 2.097 282 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 282 K C 2.003 178.609 176.600 0.010 0.000 1.049 282 K CA 1.377 57.636 56.287 -0.047 0.000 0.933 282 K CB -0.210 32.261 32.500 -0.049 0.000 0.717 282 K HN 0.346 nan 8.250 nan 0.000 0.442 283 M N 0.408 120.007 119.600 -0.000 0.000 2.159 283 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 283 M C 2.024 178.340 176.300 0.027 0.000 1.063 283 M CA 1.668 56.965 55.300 -0.006 0.000 1.110 283 M CB -0.045 32.517 32.600 -0.062 0.000 1.374 283 M HN 0.149 nan 8.290 nan 0.000 0.411 284 A N 0.124 122.959 122.820 0.024 0.000 2.014 284 A HA -0.074 4.245 4.320 -0.000 0.000 0.218 284 A C 1.893 179.519 177.584 0.069 0.000 1.163 284 A CA 1.261 53.329 52.037 0.052 0.000 0.652 284 A CB -0.543 18.494 19.000 0.062 0.000 0.808 284 A HN 0.650 nan 8.150 nan 0.000 0.449 285 M N -1.030 118.603 119.600 0.055 0.000 2.502 285 M HA 0.067 4.547 4.480 -0.000 0.000 0.243 285 M C 0.553 176.875 176.300 0.036 0.000 1.130 285 M CA 0.038 55.361 55.300 0.038 0.000 1.055 285 M CB -0.073 32.522 32.600 -0.009 0.000 1.457 285 M HN 0.395 nan 8.290 nan 0.000 0.488 286 H N 1.031 120.091 119.070 -0.016 0.000 3.070 286 H HA 0.021 4.577 4.556 -0.000 0.000 0.313 286 H C 1.093 176.420 175.328 -0.002 0.000 0.997 286 H CA 2.093 58.132 56.048 -0.015 0.000 1.438 286 H CB 0.554 30.305 29.762 -0.019 0.000 1.455 286 H HN 0.581 nan 8.280 nan 0.000 0.575 287 G N 3.882 112.544 108.800 -0.231 0.000 2.225 287 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.254 287 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.254 287 G C 0.200 175.077 174.900 -0.038 0.000 0.988 287 G CA 0.254 45.303 45.100 -0.085 0.000 0.625 287 G HN 0.610 nan 8.290 nan 0.000 0.527 288 V N 2.986 122.884 119.914 -0.025 0.000 2.372 288 V HA 0.334 4.453 4.120 -0.000 0.000 0.261 288 V C 1.283 177.368 176.094 -0.014 0.000 1.055 288 V CA 0.446 62.745 62.300 -0.001 0.000 0.930 288 V CB 1.202 33.039 31.823 0.024 0.000 1.031 288 V HN 0.482 nan 8.190 nan 0.000 0.479 289 D N 2.496 122.889 120.400 -0.011 0.000 2.323 289 D HA -0.051 4.589 4.640 -0.000 0.000 0.209 289 D C 1.068 177.370 176.300 0.004 0.000 0.973 289 D CA 0.460 54.453 54.000 -0.012 0.000 0.874 289 D CB -0.237 40.555 40.800 -0.013 0.000 0.930 289 D HN 0.591 nan 8.370 nan 0.000 0.521 290 T N -1.336 113.227 114.554 0.015 0.000 2.922 290 T HA 0.509 4.859 4.350 -0.000 0.000 0.285 290 T C -2.320 172.405 174.700 0.042 0.000 1.005 290 T CA -1.632 60.483 62.100 0.024 0.000 1.061 290 T CB 1.842 70.724 68.868 0.024 0.000 1.007 290 T HN -0.113 nan 8.240 nan 0.000 0.502 291 P HA 0.325 nan 4.420 nan 0.000 0.276 291 P C -0.497 176.849 177.300 0.078 0.000 1.252 291 P CA -0.721 62.425 63.100 0.077 0.000 0.802 291 P CB 0.559 32.297 31.700 0.063 0.000 1.035 292 I N 2.580 123.215 120.570 0.108 0.000 2.396 292 I HA 0.040 4.210 4.170 -0.000 0.000 0.289 292 I C 1.298 177.414 176.117 -0.002 0.000 1.056 292 I CA 0.261 61.597 61.300 0.061 0.000 1.365 292 I CB 0.243 38.292 38.000 0.081 0.000 1.407 292 I HN 0.322 nan 8.210 nan 0.000 0.509 293 D N 5.010 125.424 120.400 0.024 0.000 2.213 293 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 293 D C 0.023 176.369 176.300 0.077 0.000 0.961 293 D CA 1.387 55.408 54.000 0.035 0.000 0.853 293 D CB 0.438 41.268 40.800 0.050 0.000 0.967 293 D HN 0.516 nan 8.370 nan 0.000 0.496 294 Y N 0.256 120.509 120.300 -0.079 0.000 2.513 294 Y HA 0.469 5.018 4.550 -0.000 0.000 0.340 294 Y C -2.008 173.840 175.900 -0.086 0.000 1.055 294 Y CA -1.130 56.915 58.100 -0.090 0.000 1.020 294 Y CB 1.424 39.834 38.460 -0.083 0.000 1.301 294 Y HN -0.237 nan 8.280 nan 0.000 0.453 295 L N 6.973 127.624 121.223 -0.952 0.000 2.343 295 L HA 0.484 4.824 4.340 -0.000 0.000 0.278 295 L C -1.100 175.172 176.870 -0.997 0.000 0.996 295 L CA -0.541 53.840 54.840 -0.764 0.000 0.831 295 L CB 0.966 42.775 42.059 -0.416 0.000 1.232 295 L HN 0.796 nan 8.230 nan 0.000 0.413 296 N N 3.759 122.012 118.700 -0.744 0.000 2.521 296 N HA 0.098 4.838 4.740 -0.000 0.000 0.236 296 N C -0.221 175.189 175.510 -0.167 0.000 1.067 296 N CA -0.183 52.658 53.050 -0.348 0.000 0.939 296 N CB 0.858 39.305 38.487 -0.068 0.000 1.201 296 N HN 0.732 nan 8.380 nan 0.000 0.511 297 S N 2.441 118.085 115.700 -0.095 0.000 2.587 297 S HA -0.039 4.431 4.470 -0.000 0.000 0.260 297 S C 1.272 175.859 174.600 -0.021 0.000 1.353 297 S CA -0.113 58.085 58.200 -0.004 0.000 0.995 297 S CB 0.978 64.260 63.200 0.136 0.000 0.912 297 S HN 0.722 nan 8.310 nan 0.000 0.568 298 H N 1.457 120.445 119.070 -0.138 0.000 2.403 298 H HA 0.201 4.757 4.556 -0.000 0.000 0.298 298 H C 1.549 176.770 175.328 -0.177 0.000 1.059 298 H CA 0.917 56.831 56.048 -0.224 0.000 1.363 298 H CB -1.053 28.535 29.762 -0.290 0.000 1.410 298 H HN 1.006 nan 8.280 nan 0.000 0.528 299 G N 1.164 109.884 108.800 -0.133 0.000 2.741 299 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.341 299 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.341 299 G C 1.036 175.682 174.900 -0.424 0.000 0.174 299 G CA 1.015 45.943 45.100 -0.287 0.000 1.200 299 G HN 0.732 nan 8.290 nan 0.000 0.461 300 T N -0.911 113.380 114.554 -0.438 0.000 3.129 300 T HA 0.334 4.684 4.350 -0.000 0.000 0.251 300 T C 1.379 175.999 174.700 -0.134 0.000 1.117 300 T CA 0.995 62.853 62.100 -0.404 0.000 1.034 300 T CB 0.229 68.831 68.868 -0.444 0.000 0.968 300 T HN 1.856 nan 8.240 nan 0.000 0.526 301 S N 0.770 116.373 115.700 -0.161 0.000 3.672 301 S HA -0.141 4.329 4.470 -0.000 0.000 0.294 301 S C 0.227 174.837 174.600 0.017 0.000 1.200 301 S CA 0.625 58.767 58.200 -0.098 0.000 0.837 301 S CB -2.216 60.947 63.200 -0.062 0.000 0.972 301 S HN 1.247 nan 8.310 nan 0.000 0.583 302 T N -1.183 113.399 114.554 0.048 0.000 2.925 302 T HA 0.686 5.036 4.350 -0.000 0.000 0.285 302 T C -1.456 173.293 174.700 0.082 0.000 1.021 302 T CA -1.570 60.598 62.100 0.113 0.000 1.042 302 T CB 1.615 70.600 68.868 0.194 0.000 1.037 302 T HN -0.047 nan 8.240 nan 0.000 0.481 303 P HA -0.126 nan 4.420 nan 0.000 0.213 303 P C 1.683 179.029 177.300 0.077 0.000 1.170 303 P CA 0.712 63.856 63.100 0.074 0.000 0.902 303 P CB -0.056 31.688 31.700 0.072 0.000 0.789 304 V N -0.476 119.489 119.914 0.086 0.000 2.346 304 V HA -0.100 4.020 4.120 -0.000 0.000 0.244 304 V C 2.577 178.732 176.094 0.100 0.000 1.037 304 V CA 2.365 64.715 62.300 0.083 0.000 1.029 304 V CB -1.932 29.937 31.823 0.077 0.000 0.663 304 V HN 0.182 nan 8.190 nan 0.000 0.454 305 G N 0.298 109.174 108.800 0.127 0.000 2.491 305 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 305 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 305 G C 1.195 176.183 174.900 0.145 0.000 1.180 305 G CA 1.333 46.526 45.100 0.156 0.000 0.774 305 G HN 0.509 nan 8.290 nan 0.000 0.562 306 D N 0.192 120.651 120.400 0.099 0.000 2.123 306 D HA -0.142 4.498 4.640 -0.000 0.000 0.196 306 D C 2.907 179.341 176.300 0.222 0.000 0.992 306 D CA 1.774 55.843 54.000 0.115 0.000 0.833 306 D CB -0.690 40.108 40.800 -0.004 0.000 0.954 306 D HN 0.397 nan 8.370 nan 0.000 0.455 307 V N -1.217 118.793 119.914 0.160 0.000 2.453 307 V HA -0.065 4.055 4.120 -0.000 0.000 0.247 307 V C 2.068 178.225 176.094 0.105 0.000 1.048 307 V CA 1.003 63.383 62.300 0.134 0.000 1.049 307 V CB -0.394 31.485 31.823 0.093 0.000 0.672 307 V HN -0.101 nan 8.190 nan 0.000 0.457 308 K N 0.807 121.262 120.400 0.092 0.000 2.063 308 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 308 K C 2.235 178.869 176.600 0.057 0.000 1.048 308 K CA 2.199 58.519 56.287 0.054 0.000 0.928 308 K CB -0.385 32.136 32.500 0.034 0.000 0.713 308 K HN 0.800 nan 8.250 nan 0.000 0.442 309 E N 0.638 120.911 120.200 0.122 0.000 2.106 309 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 309 E C 2.085 178.784 176.600 0.165 0.000 0.984 309 E CA 0.478 56.984 56.400 0.176 0.000 0.806 309 E CB 0.059 29.965 29.700 0.343 0.000 0.750 309 E HN 0.171 nan 8.360 nan 0.000 0.458 310 L N 0.359 121.676 121.223 0.156 0.000 2.093 310 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 310 L C 2.637 179.550 176.870 0.072 0.000 1.085 310 L CA 0.972 55.871 54.840 0.099 0.000 0.755 310 L CB -0.437 41.664 42.059 0.069 0.000 0.904 310 L HN 0.238 nan 8.230 nan 0.000 0.435 311 A N -0.011 122.848 122.820 0.064 0.000 1.898 311 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 311 A C 2.526 180.138 177.584 0.046 0.000 1.181 311 A CA 1.534 53.598 52.037 0.044 0.000 0.620 311 A CB -0.566 18.452 19.000 0.031 0.000 0.819 311 A HN 0.388 nan 8.150 nan 0.000 0.442 312 A N 0.003 122.851 122.820 0.047 0.000 1.902 312 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 312 A C 2.099 179.741 177.584 0.097 0.000 1.181 312 A CA 1.511 53.572 52.037 0.040 0.000 0.623 312 A CB -0.593 18.412 19.000 0.008 0.000 0.818 312 A HN 0.496 nan 8.150 nan 0.000 0.443 313 I N -1.040 119.621 120.570 0.151 0.000 2.286 313 I HA -0.255 3.914 4.170 -0.000 0.000 0.248 313 I C 2.790 179.060 176.117 0.255 0.000 1.115 313 I CA 1.229 62.683 61.300 0.257 0.000 1.392 313 I CB -0.316 37.790 38.000 0.177 0.000 1.065 313 I HN 0.300 nan 8.210 nan 0.000 0.418 314 R N 0.461 121.041 120.500 0.133 0.000 2.073 314 R HA -0.201 4.139 4.340 -0.000 0.000 0.234 314 R C 2.236 178.588 176.300 0.087 0.000 1.134 314 R CA 1.501 57.663 56.100 0.103 0.000 0.952 314 R CB -0.331 30.002 30.300 0.054 0.000 0.850 314 R HN 0.374 nan 8.270 nan 0.000 0.433 315 E N 0.356 120.588 120.200 0.054 0.000 2.153 315 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 315 E C 1.705 178.291 176.600 -0.024 0.000 0.988 315 E CA 0.982 57.390 56.400 0.013 0.000 0.811 315 E CB 0.279 29.978 29.700 -0.002 0.000 0.746 315 E HN 0.116 nan 8.360 nan 0.000 0.466 316 V N -0.275 119.612 119.914 -0.045 0.000 2.446 316 V HA -0.124 3.996 4.120 -0.000 0.000 0.244 316 V C 1.442 177.305 176.094 -0.385 0.000 1.039 316 V CA 1.322 63.469 62.300 -0.254 0.000 1.045 316 V CB -0.253 31.326 31.823 -0.408 0.000 0.681 316 V HN 0.262 nan 8.190 nan 0.000 0.459 317 F N -0.069 119.881 119.950 0.000 0.000 2.714 317 F HA 0.488 5.015 4.527 -0.000 0.000 0.294 317 F C 1.883 177.681 175.800 -0.005 0.000 1.120 317 F CA 0.614 58.612 58.000 -0.003 0.000 1.398 317 F CB -0.451 38.546 39.000 -0.006 0.000 1.120 317 F HN 0.250 nan 8.300 nan 0.000 0.589 318 G N 1.431 110.316 108.800 0.142 0.000 2.634 318 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.318 318 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.318 318 G C 0.495 175.446 174.900 0.085 0.000 1.207 318 G CA 1.050 46.200 45.100 0.083 0.000 0.987 318 G HN 0.359 nan 8.290 nan 0.000 0.547 319 D N 1.233 121.673 120.400 0.066 0.000 2.339 319 D HA 0.247 4.886 4.640 -0.000 0.000 0.217 319 D C 1.198 177.530 176.300 0.054 0.000 1.050 319 D CA 0.368 54.397 54.000 0.048 0.000 0.856 319 D CB 0.330 41.148 40.800 0.031 0.000 0.922 319 D HN 0.263 nan 8.370 nan 0.000 0.518 320 K N 1.106 121.562 120.400 0.094 0.000 2.981 320 K HA 0.161 4.481 4.320 -0.000 0.000 0.213 320 K C -0.184 176.466 176.600 0.084 0.000 1.154 320 K CA -0.137 56.205 56.287 0.092 0.000 1.111 320 K CB 0.751 33.324 32.500 0.121 0.000 0.975 320 K HN 0.094 nan 8.250 nan 0.000 0.462 321 S N 1.808 117.516 115.700 0.014 0.000 2.549 321 S HA 0.268 4.737 4.470 -0.000 0.000 0.279 321 S C -1.548 172.898 174.600 -0.258 0.000 1.321 321 S CA -0.966 57.129 58.200 -0.175 0.000 1.054 321 S CB 0.442 63.575 63.200 -0.112 0.000 0.899 321 S HN 0.156 nan 8.310 nan 0.000 0.497 322 P HA 0.361 nan 4.420 nan 0.000 0.279 322 P C -0.435 176.748 177.300 -0.196 0.000 1.282 322 P CA -0.631 62.286 63.100 -0.304 0.000 0.788 322 P CB 0.431 31.880 31.700 -0.418 0.000 1.139 323 A N 0.533 123.305 122.820 -0.079 0.000 2.425 323 A HA 0.481 4.801 4.320 -0.000 0.000 0.249 323 A C 0.284 177.865 177.584 -0.005 0.000 1.084 323 A CA -0.116 51.927 52.037 0.010 0.000 0.781 323 A CB -0.654 18.414 19.000 0.113 0.000 1.019 323 A HN 0.459 nan 8.150 nan 0.000 0.490 324 I N 1.083 121.651 120.570 -0.003 0.000 2.730 324 I HA 0.587 4.756 4.170 -0.000 0.000 0.298 324 I C -0.086 176.090 176.117 0.098 0.000 1.089 324 I CA -0.315 60.955 61.300 -0.051 0.000 1.041 324 I CB 2.635 40.554 38.000 -0.134 0.000 1.235 324 I HN 0.797 nan 8.210 nan 0.000 0.423 325 S N 3.236 119.031 115.700 0.158 0.000 2.542 325 S HA 0.806 5.276 4.470 -0.000 0.000 0.276 325 S C -1.253 173.467 174.600 0.200 0.000 1.148 325 S CA -0.783 57.553 58.200 0.226 0.000 0.886 325 S CB 1.796 65.155 63.200 0.264 0.000 1.109 325 S HN 0.862 nan 8.310 nan 0.000 0.458 326 A N 2.209 125.140 122.820 0.185 0.000 2.273 326 A HA 0.632 4.952 4.320 -0.000 0.000 0.320 326 A C 1.155 178.754 177.584 0.024 0.000 1.358 326 A CA -0.196 51.883 52.037 0.069 0.000 0.910 326 A CB 0.124 19.093 19.000 -0.052 0.000 1.159 326 A HN 1.446 nan 8.150 nan 0.000 0.526 327 T N 0.107 114.680 114.554 0.031 0.000 3.007 327 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 327 T C 1.321 175.992 174.700 -0.049 0.000 1.107 327 T CA 1.188 63.276 62.100 -0.020 0.000 1.118 327 T CB -0.280 68.572 68.868 -0.026 0.000 0.889 327 T HN 0.635 nan 8.240 nan 0.000 0.506 328 K N 1.131 121.497 120.400 -0.058 0.000 2.360 328 K HA 0.155 4.475 4.320 -0.000 0.000 0.201 328 K C 2.538 179.099 176.600 -0.064 0.000 1.046 328 K CA 0.843 57.083 56.287 -0.078 0.000 0.945 328 K CB -0.310 32.084 32.500 -0.176 0.000 0.750 328 K HN 0.497 nan 8.250 nan 0.000 0.464 329 A N 0.763 123.542 122.820 -0.069 0.000 2.015 329 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 329 A C 1.964 179.524 177.584 -0.040 0.000 1.163 329 A CA 1.238 53.240 52.037 -0.057 0.000 0.646 329 A CB -0.197 18.773 19.000 -0.050 0.000 0.806 329 A HN 0.185 nan 8.150 nan 0.000 0.448 330 M N -1.285 118.286 119.600 -0.048 0.000 2.557 330 M HA -0.031 4.449 4.480 -0.000 0.000 0.262 330 M C 2.392 178.667 176.300 -0.042 0.000 1.168 330 M CA 1.642 56.911 55.300 -0.052 0.000 1.194 330 M CB -0.105 32.442 32.600 -0.088 0.000 1.311 330 M HN 0.586 nan 8.290 nan 0.000 0.489 331 T N -2.038 112.488 114.554 -0.048 0.000 2.976 331 T HA 0.412 4.762 4.350 -0.000 0.000 0.257 331 T C 1.088 175.802 174.700 0.024 0.000 1.051 331 T CA 0.625 62.717 62.100 -0.014 0.000 1.141 331 T CB -0.101 68.778 68.868 0.017 0.000 0.881 331 T HN 0.549 nan 8.240 nan 0.000 0.461 332 G N 0.885 109.702 108.800 0.029 0.000 2.655 332 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.680 332 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.680 332 G C -1.020 173.925 174.900 0.074 0.000 1.302 332 G CA -0.371 44.774 45.100 0.074 0.000 0.872 332 G HN 0.813 nan 8.290 nan 0.000 0.540 333 H N 0.806 119.843 119.070 -0.054 0.000 2.741 333 H HA 0.593 5.149 4.556 -0.000 0.000 0.282 333 H C 1.701 176.914 175.328 -0.191 0.000 1.122 333 H CA 0.011 55.923 56.048 -0.228 0.000 1.293 333 H CB 0.619 30.035 29.762 -0.575 0.000 1.415 333 H HN 0.833 nan 8.280 nan 0.000 0.472 334 S N 4.775 120.519 115.700 0.074 0.000 2.701 334 S HA 0.087 4.557 4.470 -0.000 0.000 0.220 334 S C 1.360 175.881 174.600 -0.130 0.000 0.954 334 S CA 0.122 58.294 58.200 -0.046 0.000 0.936 334 S CB -0.557 62.628 63.200 -0.024 0.000 0.777 334 S HN 0.725 nan 8.310 nan 0.000 0.518 335 L N -0.107 120.927 121.223 -0.315 0.000 5.154 335 L HA -0.353 3.987 4.340 -0.000 0.000 0.053 335 L C 2.262 179.075 176.870 -0.095 0.000 3.137 335 L CA 1.448 56.065 54.840 -0.373 0.000 1.466 335 L CB -2.127 39.708 42.059 -0.374 0.000 2.980 335 L HN 0.424 nan 8.230 nan 0.000 0.938 336 G N -1.051 107.712 108.800 -0.063 0.000 2.462 336 G HA2 0.002 3.962 3.960 -0.000 0.000 0.220 336 G HA3 0.002 3.962 3.960 -0.000 0.000 0.220 336 G C 1.299 176.193 174.900 -0.010 0.000 1.121 336 G CA 1.450 46.544 45.100 -0.011 0.000 0.758 336 G HN 0.863 nan 8.290 nan 0.000 0.559 337 A N 0.370 123.178 122.820 -0.021 0.000 2.178 337 A HA 0.634 4.954 4.320 -0.000 0.000 0.211 337 A C 2.595 180.145 177.584 -0.058 0.000 1.157 337 A CA 1.314 53.330 52.037 -0.034 0.000 0.780 337 A CB -0.266 18.716 19.000 -0.031 0.000 0.828 337 A HN 0.570 nan 8.150 nan 0.000 0.476 338 A N 0.264 123.068 122.820 -0.028 0.000 1.892 338 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 338 A C 2.386 179.920 177.584 -0.083 0.000 1.188 338 A CA 2.094 54.116 52.037 -0.025 0.000 0.631 338 A CB -1.439 17.598 19.000 0.063 0.000 0.822 338 A HN 0.721 nan 8.150 nan 0.000 0.447 339 G N -0.914 107.839 108.800 -0.078 0.000 2.514 339 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.217 339 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.217 339 G C 1.677 176.489 174.900 -0.146 0.000 1.198 339 G CA 1.516 46.547 45.100 -0.115 0.000 0.780 339 G HN 0.688 nan 8.290 nan 0.000 0.565 340 V N 0.205 120.034 119.914 -0.142 0.000 2.453 340 V HA -0.114 4.005 4.120 -0.000 0.000 0.247 340 V C 2.768 178.708 176.094 -0.257 0.000 1.048 340 V CA 2.506 64.705 62.300 -0.169 0.000 1.049 340 V CB -0.269 31.476 31.823 -0.131 0.000 0.672 340 V HN 0.536 nan 8.190 nan 0.000 0.457 341 Q N -0.419 119.199 119.800 -0.304 0.000 2.084 341 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 341 Q C 2.148 177.572 176.000 -0.959 0.000 0.978 341 Q CA 2.118 57.583 55.803 -0.564 0.000 0.844 341 Q CB -0.152 28.320 28.738 -0.444 0.000 0.898 341 Q HN 0.705 nan 8.270 nan 0.000 0.426 342 E N 0.307 120.180 120.200 -0.546 0.000 2.274 342 E HA -0.099 4.250 4.350 -0.000 0.000 0.194 342 E C 1.801 178.278 176.600 -0.206 0.000 0.996 342 E CA 0.665 56.873 56.400 -0.320 0.000 0.840 342 E CB 0.024 29.680 29.700 -0.074 0.000 0.772 342 E HN 0.335 nan 8.360 nan 0.000 0.491 343 A N 0.786 123.470 122.820 -0.226 0.000 1.929 343 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 343 A C 2.087 179.570 177.584 -0.169 0.000 1.176 343 A CA 0.775 52.720 52.037 -0.154 0.000 0.628 343 A CB -0.338 18.571 19.000 -0.153 0.000 0.816 343 A HN 0.143 nan 8.150 nan 0.000 0.444 344 I N -1.393 119.014 120.570 -0.272 0.000 2.315 344 I HA -0.240 3.929 4.170 -0.000 0.000 0.248 344 I C 2.168 178.230 176.117 -0.092 0.000 1.117 344 I CA 1.129 62.284 61.300 -0.243 0.000 1.404 344 I CB -0.366 37.455 38.000 -0.298 0.000 1.071 344 I HN 0.371 nan 8.210 nan 0.000 0.419 345 Y N 0.582 120.856 120.300 -0.044 0.000 2.293 345 Y HA -0.153 4.397 4.550 -0.000 0.000 0.291 345 Y C 2.885 178.758 175.900 -0.045 0.000 1.137 345 Y CA 0.625 58.710 58.100 -0.025 0.000 1.202 345 Y CB -1.227 37.228 38.460 -0.008 0.000 0.990 345 Y HN 0.095 nan 8.280 nan 0.000 0.537 346 S N -0.106 115.666 115.700 0.121 0.000 2.387 346 S HA -0.074 4.396 4.470 -0.000 0.000 0.226 346 S C 2.115 176.728 174.600 0.022 0.000 1.026 346 S CA 0.795 59.052 58.200 0.095 0.000 0.972 346 S CB -0.479 62.787 63.200 0.110 0.000 0.814 346 S HN 0.348 nan 8.310 nan 0.000 0.477 347 L N 1.058 122.275 121.223 -0.010 0.000 2.141 347 L HA -0.025 4.315 4.340 -0.000 0.000 0.209 347 L C 2.119 179.016 176.870 0.046 0.000 1.094 347 L CA 0.893 55.720 54.840 -0.020 0.000 0.763 347 L CB -0.497 41.471 42.059 -0.151 0.000 0.908 347 L HN 0.294 nan 8.230 nan 0.000 0.437 348 L N -1.096 120.170 121.223 0.072 0.000 2.093 348 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 348 L C 2.591 179.576 176.870 0.191 0.000 1.085 348 L CA 1.152 56.132 54.840 0.233 0.000 0.755 348 L CB -0.288 41.923 42.059 0.254 0.000 0.904 348 L HN 0.325 nan 8.230 nan 0.000 0.435 349 M N -0.875 118.643 119.600 -0.137 0.000 2.175 349 M HA -0.199 4.280 4.480 -0.000 0.000 0.264 349 M C 2.242 178.413 176.300 -0.216 0.000 1.063 349 M CA 1.454 56.425 55.300 -0.547 0.000 1.119 349 M CB -0.184 31.959 32.600 -0.761 0.000 1.377 349 M HN 0.208 nan 8.290 nan 0.000 0.415 350 L N 0.527 121.703 121.223 -0.077 0.000 2.072 350 L HA -0.137 4.202 4.340 -0.000 0.000 0.205 350 L C 2.192 179.075 176.870 0.022 0.000 1.079 350 L CA 1.957 56.788 54.840 -0.014 0.000 0.752 350 L CB -0.532 41.539 42.059 0.020 0.000 0.906 350 L HN 0.203 nan 8.230 nan 0.000 0.436 351 E N -1.346 118.889 120.200 0.058 0.000 2.150 351 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 351 E C 1.497 177.977 176.600 -0.201 0.000 0.985 351 E CA 1.349 57.734 56.400 -0.025 0.000 0.814 351 E CB -0.058 29.681 29.700 0.065 0.000 0.752 351 E HN 0.628 nan 8.360 nan 0.000 0.466 352 H N -1.185 117.991 119.070 0.177 0.000 2.542 352 H HA 0.281 4.836 4.556 -0.000 0.000 0.283 352 H C 0.422 175.893 175.328 0.238 0.000 1.059 352 H CA 0.386 56.568 56.048 0.224 0.000 1.162 352 H CB 0.573 30.529 29.762 0.324 0.000 1.539 352 H HN 0.245 nan 8.280 nan 0.000 0.543 353 G N 2.239 111.156 108.800 0.196 0.000 2.363 353 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.286 353 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.286 353 G C -0.262 174.772 174.900 0.223 0.000 0.975 353 G CA 0.920 46.101 45.100 0.134 0.000 1.309 353 G HN 0.523 nan 8.290 nan 0.000 0.491 354 F N -1.306 118.629 119.950 -0.025 0.000 2.719 354 F HA 0.773 5.300 4.527 -0.000 0.000 0.309 354 F C -1.087 174.616 175.800 -0.161 0.000 1.138 354 F CA -2.244 55.716 58.000 -0.065 0.000 0.943 354 F CB 1.086 40.064 39.000 -0.037 0.000 1.304 354 F HN 0.088 nan 8.300 nan 0.000 0.445 355 I N 3.071 123.528 120.570 -0.188 0.000 2.389 355 I HA 0.619 4.788 4.170 -0.000 0.000 0.288 355 I C 0.131 176.167 176.117 -0.135 0.000 0.999 355 I CA -1.086 59.943 61.300 -0.451 0.000 1.129 355 I CB 1.629 39.445 38.000 -0.308 0.000 1.288 355 I HN 0.979 nan 8.210 nan 0.000 0.444 356 A N 9.355 132.029 122.820 -0.244 0.000 2.462 356 A HA 0.467 4.786 4.320 -0.000 0.000 0.243 356 A C -2.307 175.296 177.584 0.031 0.000 1.076 356 A CA -0.970 51.108 52.037 0.068 0.000 0.773 356 A CB -0.339 18.676 19.000 0.025 0.000 1.010 356 A HN 0.432 nan 8.150 nan 0.000 0.493 357 P HA 0.127 nan 4.420 nan 0.000 0.277 357 P C -0.347 176.985 177.300 0.053 0.000 1.240 357 P CA -0.226 62.904 63.100 0.050 0.000 0.798 357 P CB 1.182 32.905 31.700 0.037 0.000 0.979 358 S N 2.366 118.109 115.700 0.072 0.000 2.415 358 S HA 0.381 4.851 4.470 -0.000 0.000 0.313 358 S C 0.606 175.243 174.600 0.062 0.000 1.067 358 S CA -0.852 57.401 58.200 0.089 0.000 1.099 358 S CB -1.364 61.932 63.200 0.160 0.000 0.991 358 S HN 0.345 nan 8.310 nan 0.000 0.491 359 I N 1.931 122.519 120.570 0.030 0.000 3.156 359 I HA 0.487 4.656 4.170 -0.000 0.000 0.306 359 I C 0.337 176.457 176.117 0.005 0.000 1.048 359 I CA -0.593 60.715 61.300 0.014 0.000 1.207 359 I CB 0.275 38.273 38.000 -0.003 0.000 1.456 359 I HN 0.516 nan 8.210 nan 0.000 0.616 360 N N 0.857 119.554 118.700 -0.004 0.000 2.741 360 N HA -0.167 4.573 4.740 -0.000 0.000 0.250 360 N C -0.694 174.814 175.510 -0.004 0.000 1.115 360 N CA 0.932 53.970 53.050 -0.020 0.000 0.724 360 N CB -1.557 36.894 38.487 -0.061 0.000 1.090 360 N HN 0.594 nan 8.380 nan 0.000 0.558 361 I N 0.981 121.566 120.570 0.024 0.000 2.282 361 I HA 0.081 4.251 4.170 -0.000 0.000 0.290 361 I C 1.318 177.460 176.117 0.042 0.000 1.090 361 I CA -0.173 61.153 61.300 0.043 0.000 1.231 361 I CB 0.616 38.656 38.000 0.066 0.000 1.434 361 I HN 0.020 nan 8.210 nan 0.000 0.487 362 E N 3.764 123.995 120.200 0.052 0.000 2.216 362 E HA 0.045 4.395 4.350 -0.000 0.000 0.192 362 E C 0.402 177.044 176.600 0.069 0.000 0.973 362 E CA 0.490 56.928 56.400 0.063 0.000 0.851 362 E CB 0.585 30.336 29.700 0.083 0.000 0.804 362 E HN 0.524 nan 8.360 nan 0.000 0.477 363 E N 1.133 121.374 120.200 0.069 0.000 2.302 363 E HA 0.173 4.523 4.350 -0.000 0.000 0.263 363 E C -1.555 175.055 176.600 0.017 0.000 0.897 363 E CA -0.608 55.820 56.400 0.046 0.000 0.809 363 E CB 1.214 30.952 29.700 0.063 0.000 1.270 363 E HN -0.075 nan 8.360 nan 0.000 0.410 364 L N 4.244 125.479 121.223 0.021 0.000 2.410 364 L HA 0.150 4.490 4.340 -0.000 0.000 0.273 364 L C 0.129 177.005 176.870 0.009 0.000 1.152 364 L CA 0.359 55.213 54.840 0.023 0.000 0.855 364 L CB 0.782 42.849 42.059 0.013 0.000 1.129 364 L HN 0.555 nan 8.230 nan 0.000 0.463 365 D N 3.472 123.887 120.400 0.025 0.000 2.455 365 D HA -0.064 4.575 4.640 -0.000 0.000 0.241 365 D C 0.842 177.148 176.300 0.011 0.000 1.138 365 D CA 0.247 54.257 54.000 0.016 0.000 0.877 365 D CB 0.917 41.751 40.800 0.056 0.000 1.187 365 D HN 0.720 nan 8.370 nan 0.000 0.451 366 E N 2.095 122.297 120.200 0.004 0.000 2.086 366 E HA -0.270 4.080 4.350 -0.000 0.000 0.200 366 E C 1.682 178.285 176.600 0.005 0.000 1.012 366 E CA 1.306 57.708 56.400 0.004 0.000 0.812 366 E CB 0.030 29.734 29.700 0.006 0.000 0.743 366 E HN 0.608 nan 8.360 nan 0.000 0.453 367 Q N -0.528 119.281 119.800 0.014 0.000 2.500 367 Q HA -0.008 4.332 4.340 -0.000 0.000 0.213 367 Q C 1.642 177.641 176.000 -0.001 0.000 0.974 367 Q CA 0.739 56.550 55.803 0.015 0.000 0.918 367 Q CB 0.195 28.952 28.738 0.032 0.000 0.980 367 Q HN 0.221 nan 8.270 nan 0.000 0.505 368 A N 0.694 123.504 122.820 -0.017 0.000 2.267 368 A HA 0.383 4.703 4.320 -0.000 0.000 0.213 368 A C 0.993 178.534 177.584 -0.072 0.000 1.192 368 A CA 0.071 52.061 52.037 -0.078 0.000 0.851 368 A CB 0.144 19.072 19.000 -0.119 0.000 0.881 368 A HN 0.266 nan 8.150 nan 0.000 0.494 369 A N -0.686 122.112 122.820 -0.037 0.000 2.567 369 A HA 0.417 4.736 4.320 -0.000 0.000 0.240 369 A C 1.691 179.256 177.584 -0.032 0.000 1.053 369 A CA 0.841 52.861 52.037 -0.029 0.000 0.755 369 A CB -0.622 18.370 19.000 -0.014 0.000 0.978 369 A HN 1.963 nan 8.150 nan 0.000 0.507 370 G N 1.176 109.956 108.800 -0.032 0.000 2.268 370 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.240 370 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.240 370 G C 0.238 175.114 174.900 -0.041 0.000 1.010 370 G CA 0.294 45.377 45.100 -0.028 0.000 0.618 370 G HN 0.844 nan 8.290 nan 0.000 0.516 371 L N 0.816 122.000 121.223 -0.065 0.000 2.436 371 L HA 0.407 4.747 4.340 -0.000 0.000 0.265 371 L C 0.769 177.586 176.870 -0.088 0.000 1.168 371 L CA -0.622 54.166 54.840 -0.087 0.000 0.815 371 L CB 0.791 42.771 42.059 -0.131 0.000 1.109 371 L HN 0.184 nan 8.230 nan 0.000 0.462 372 N N 2.976 121.626 118.700 -0.085 0.000 3.124 372 N HA 0.217 4.956 4.740 -0.000 0.000 0.284 372 N C -0.673 174.797 175.510 -0.067 0.000 1.209 372 N CA -0.079 52.933 53.050 -0.063 0.000 1.149 372 N CB -0.223 38.235 38.487 -0.047 0.000 1.434 372 N HN 0.401 nan 8.380 nan 0.000 0.529 373 I N 2.413 122.932 120.570 -0.084 0.000 2.322 373 I HA 0.111 4.281 4.170 -0.000 0.000 0.292 373 I C 0.071 176.181 176.117 -0.011 0.000 1.060 373 I CA -0.863 60.391 61.300 -0.077 0.000 1.309 373 I CB 0.918 38.824 38.000 -0.157 0.000 1.415 373 I HN 0.003 nan 8.210 nan 0.000 0.492 374 V N 6.065 125.996 119.914 0.028 0.000 2.521 374 V HA 0.015 4.135 4.120 -0.000 0.000 0.286 374 V C 1.312 177.434 176.094 0.046 0.000 1.034 374 V CA 0.295 62.617 62.300 0.038 0.000 1.045 374 V CB 0.909 32.763 31.823 0.051 0.000 0.974 374 V HN 0.917 nan 8.190 nan 0.000 0.480 375 T N 0.323 114.897 114.554 0.033 0.000 3.044 375 T HA 0.258 4.608 4.350 -0.000 0.000 0.260 375 T C 0.200 174.917 174.700 0.028 0.000 1.019 375 T CA -0.139 61.983 62.100 0.035 0.000 0.921 375 T CB -0.073 68.813 68.868 0.030 0.000 1.053 375 T HN 0.826 nan 8.240 nan 0.000 0.533 376 E N 0.671 120.887 120.200 0.026 0.000 2.308 376 E HA 0.410 4.760 4.350 -0.000 0.000 0.275 376 E C -1.396 175.222 176.600 0.030 0.000 0.890 376 E CA -1.014 55.399 56.400 0.022 0.000 0.754 376 E CB 1.098 30.806 29.700 0.014 0.000 1.207 376 E HN -0.100 nan 8.360 nan 0.000 0.426 377 T N 2.731 117.304 114.554 0.032 0.000 2.819 377 T HA 0.029 4.379 4.350 -0.000 0.000 0.282 377 T C -0.357 174.376 174.700 0.056 0.000 1.013 377 T CA 0.643 62.779 62.100 0.060 0.000 1.159 377 T CB 0.049 68.927 68.868 0.018 0.000 1.007 377 T HN 0.454 nan 8.240 nan 0.000 0.514 378 T N 4.497 119.103 114.554 0.087 0.000 2.840 378 T HA 0.242 4.592 4.350 -0.000 0.000 0.287 378 T C -0.376 174.382 174.700 0.095 0.000 0.991 378 T CA -0.931 61.206 62.100 0.062 0.000 0.964 378 T CB 1.109 69.996 68.868 0.032 0.000 0.954 378 T HN 0.461 nan 8.240 nan 0.000 0.438 379 D N 2.976 123.423 120.400 0.078 0.000 2.350 379 D HA 0.426 5.066 4.640 -0.000 0.000 0.249 379 D C 0.404 176.740 176.300 0.061 0.000 1.119 379 D CA 0.079 54.136 54.000 0.095 0.000 0.886 379 D CB 1.150 41.986 40.800 0.060 0.000 1.195 379 D HN 0.437 nan 8.370 nan 0.000 0.437 380 R N 1.090 121.627 120.500 0.061 0.000 2.833 380 R HA 0.058 4.397 4.340 -0.000 0.000 0.259 380 R C -1.438 174.877 176.300 0.024 0.000 1.047 380 R CA -0.576 55.541 56.100 0.030 0.000 0.916 380 R CB 1.112 31.418 30.300 0.011 0.000 1.259 380 R HN 0.281 nan 8.270 nan 0.000 0.482 381 E N 4.106 124.318 120.200 0.019 0.000 2.166 381 E HA 0.201 4.551 4.350 -0.000 0.000 0.279 381 E C -0.441 176.163 176.600 0.008 0.000 1.095 381 E CA -0.085 56.324 56.400 0.016 0.000 0.888 381 E CB 0.838 30.548 29.700 0.016 0.000 1.041 381 E HN 0.270 nan 8.360 nan 0.000 0.414 382 L N 2.182 123.406 121.223 0.001 0.000 2.334 382 L HA 0.327 4.667 4.340 -0.000 0.000 0.275 382 L C 0.991 177.869 176.870 0.013 0.000 1.036 382 L CA -0.293 54.549 54.840 0.004 0.000 0.807 382 L CB 1.625 43.673 42.059 -0.018 0.000 1.231 382 L HN 0.540 nan 8.230 nan 0.000 0.438 383 T N -1.357 113.209 114.554 0.022 0.000 3.115 383 T HA 0.094 4.444 4.350 -0.000 0.000 0.256 383 T C 0.206 174.923 174.700 0.028 0.000 0.970 383 T CA 0.310 62.422 62.100 0.020 0.000 1.010 383 T CB 0.704 69.583 68.868 0.018 0.000 1.151 383 T HN 0.589 nan 8.240 nan 0.000 0.479 384 T N 2.904 117.481 114.554 0.037 0.000 2.881 384 T HA 0.672 5.022 4.350 -0.000 0.000 0.291 384 T C -0.751 173.984 174.700 0.058 0.000 0.990 384 T CA -0.682 61.445 62.100 0.044 0.000 0.976 384 T CB 1.973 70.868 68.868 0.044 0.000 0.970 384 T HN 0.220 nan 8.240 nan 0.000 0.438 385 V N 1.315 121.266 119.914 0.061 0.000 2.864 385 V HA 0.873 4.993 4.120 -0.000 0.000 0.314 385 V C -0.594 175.515 176.094 0.025 0.000 1.073 385 V CA -1.214 61.129 62.300 0.071 0.000 0.956 385 V CB 2.127 34.037 31.823 0.145 0.000 1.023 385 V HN 0.973 nan 8.190 nan 0.000 0.435 386 M N 2.849 122.428 119.600 -0.034 0.000 2.530 386 M HA 0.770 5.249 4.480 -0.000 0.000 0.307 386 M C -0.987 175.256 176.300 -0.095 0.000 1.161 386 M CA -0.285 54.995 55.300 -0.032 0.000 0.903 386 M CB 2.257 34.865 32.600 0.013 0.000 1.711 386 M HN 0.967 nan 8.290 nan 0.000 0.451 387 S N 2.815 118.472 115.700 -0.071 0.000 2.614 387 S HA 0.574 5.044 4.470 -0.000 0.000 0.288 387 S C -1.539 172.975 174.600 -0.142 0.000 1.137 387 S CA -0.809 57.327 58.200 -0.107 0.000 0.992 387 S CB 1.055 64.204 63.200 -0.085 0.000 1.026 387 S HN 0.846 nan 8.310 nan 0.000 0.486 388 N N 2.042 120.614 118.700 -0.213 0.000 2.456 388 N HA 0.567 5.307 4.740 -0.000 0.000 0.296 388 N C -1.281 173.858 175.510 -0.618 0.000 1.102 388 N CA -0.418 52.358 53.050 -0.456 0.000 0.924 388 N CB 1.841 40.001 38.487 -0.544 0.000 1.186 388 N HN 0.463 nan 8.380 nan 0.000 0.492 389 S N 1.379 116.538 115.700 -0.901 0.000 2.736 389 S HA 0.536 5.006 4.470 -0.000 0.000 0.285 389 S C -1.408 172.631 174.600 -0.934 0.000 1.163 389 S CA -0.594 57.135 58.200 -0.785 0.000 1.025 389 S CB 0.321 63.291 63.200 -0.382 0.000 1.030 389 S HN 0.289 nan 8.310 nan 0.000 0.486 390 F N 1.414 120.837 119.950 -0.879 0.000 2.493 390 F HA 0.759 5.286 4.527 -0.000 0.000 0.329 390 F C 0.743 176.358 175.800 -0.309 0.000 1.126 390 F CA -0.893 56.821 58.000 -0.476 0.000 0.937 390 F CB 1.673 40.472 39.000 -0.336 0.000 1.146 390 F HN 0.624 nan 8.300 nan 0.000 0.442 391 G N 1.787 110.668 108.800 0.136 0.000 2.644 391 G HA2 0.573 4.532 3.960 -0.000 0.000 0.307 391 G HA3 0.573 4.532 3.960 -0.000 0.000 0.307 391 G C -0.796 174.325 174.900 0.368 0.000 1.250 391 G CA -0.855 44.360 45.100 0.192 0.000 0.996 391 G HN 0.467 nan 8.290 nan 0.000 0.489 392 F N -0.233 119.822 119.950 0.175 0.000 2.589 392 F HA 0.289 4.816 4.527 -0.000 0.000 0.352 392 F C 1.703 177.572 175.800 0.115 0.000 1.168 392 F CA 1.071 59.162 58.000 0.152 0.000 1.353 392 F CB 0.874 39.973 39.000 0.166 0.000 1.116 392 F HN 0.818 nan 8.300 nan 0.000 0.608 393 G N 0.837 109.794 108.800 0.261 0.000 2.157 393 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.248 393 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.248 393 G C 0.710 175.685 174.900 0.126 0.000 0.979 393 G CA 0.162 45.357 45.100 0.158 0.000 0.650 393 G HN 1.749 nan 8.290 nan 0.000 0.529 394 G N -0.978 107.906 108.800 0.140 0.000 2.305 394 G HA2 0.060 4.020 3.960 -0.000 0.000 0.287 394 G HA3 0.060 4.020 3.960 -0.000 0.000 0.287 394 G C 0.417 175.382 174.900 0.109 0.000 1.036 394 G CA 1.469 46.628 45.100 0.098 0.000 0.887 394 G HN 2.033 nan 8.290 nan 0.000 0.505 395 T N 0.283 114.934 114.554 0.162 0.000 2.767 395 T HA 0.565 4.915 4.350 -0.000 0.000 0.288 395 T C 0.044 174.892 174.700 0.246 0.000 0.963 395 T CA -0.590 61.630 62.100 0.200 0.000 1.019 395 T CB 0.336 69.343 68.868 0.232 0.000 0.923 395 T HN 0.324 nan 8.240 nan 0.000 0.468 396 N N 2.970 121.826 118.700 0.260 0.000 2.269 396 N HA 0.713 5.453 4.740 -0.000 0.000 0.304 396 N C -1.280 174.340 175.510 0.184 0.000 1.072 396 N CA -0.650 52.586 53.050 0.311 0.000 0.802 396 N CB 2.143 40.810 38.487 0.299 0.000 1.348 396 N HN 0.765 nan 8.380 nan 0.000 0.484 397 A N 0.695 123.519 122.820 0.007 0.000 2.486 397 A HA 0.769 5.089 4.320 -0.000 0.000 0.300 397 A C -0.892 176.641 177.584 -0.085 0.000 1.048 397 A CA -0.490 51.480 52.037 -0.111 0.000 0.696 397 A CB 1.482 20.180 19.000 -0.503 0.000 1.278 397 A HN 0.451 nan 8.150 nan 0.000 0.405 398 T N 2.112 116.678 114.554 0.020 0.000 2.916 398 T HA 0.606 4.956 4.350 -0.000 0.000 0.298 398 T C -0.968 173.790 174.700 0.096 0.000 1.031 398 T CA -0.253 61.858 62.100 0.019 0.000 0.993 398 T CB 0.934 69.838 68.868 0.060 0.000 1.045 398 T HN 0.513 nan 8.240 nan 0.000 0.454 399 L N 2.632 123.883 121.223 0.046 0.000 2.365 399 L HA 0.799 5.138 4.340 -0.000 0.000 0.273 399 L C -0.854 176.040 176.870 0.040 0.000 1.000 399 L CA -1.165 53.713 54.840 0.063 0.000 0.819 399 L CB 2.116 44.175 42.059 0.000 0.000 1.284 399 L HN 0.334 nan 8.230 nan 0.000 0.418 400 V N 3.711 123.659 119.914 0.056 0.000 2.444 400 V HA 0.530 4.650 4.120 -0.000 0.000 0.294 400 V C -0.170 175.945 176.094 0.035 0.000 1.022 400 V CA -0.356 61.972 62.300 0.048 0.000 0.850 400 V CB 1.785 33.647 31.823 0.064 0.000 0.992 400 V HN 0.714 nan 8.190 nan 0.000 0.426 401 M N 4.962 124.578 119.600 0.026 0.000 2.465 401 M HA 0.674 5.154 4.480 -0.000 0.000 0.316 401 M C -0.562 175.753 176.300 0.025 0.000 1.121 401 M CA -0.453 54.858 55.300 0.018 0.000 0.934 401 M CB 2.715 35.319 32.600 0.007 0.000 1.692 401 M HN 0.580 nan 8.290 nan 0.000 0.444 402 R N 1.430 121.941 120.500 0.019 0.000 2.673 402 R HA 0.464 4.804 4.340 -0.000 0.000 0.281 402 R C -1.102 175.203 176.300 0.010 0.000 0.991 402 R CA -0.793 55.318 56.100 0.019 0.000 0.896 402 R CB 2.006 32.317 30.300 0.019 0.000 1.201 402 R HN 0.657 nan 8.270 nan 0.000 0.457 403 K N 2.214 122.619 120.400 0.009 0.000 2.469 403 K HA -0.001 4.319 4.320 -0.000 0.000 0.274 403 K C -0.346 176.249 176.600 -0.010 0.000 0.983 403 K CA -0.098 56.188 56.287 -0.002 0.000 0.974 403 K CB 0.405 32.904 32.500 -0.001 0.000 0.913 403 K HN 0.253 nan 8.250 nan 0.000 0.493 404 L N 4.957 126.166 121.223 -0.024 0.000 2.319 404 L HA 0.040 4.380 4.340 -0.000 0.000 0.280 404 L C -0.132 176.725 176.870 -0.020 0.000 1.099 404 L CA -0.274 54.551 54.840 -0.025 0.000 0.828 404 L CB 0.702 42.737 42.059 -0.040 0.000 1.150 404 L HN 0.429 nan 8.230 nan 0.000 0.442 405 K N 5.132 125.524 120.400 -0.013 0.000 2.320 405 K HA -0.099 4.221 4.320 -0.000 0.000 0.269 405 K C 0.179 176.772 176.600 -0.013 0.000 1.182 405 K CA 0.299 56.580 56.287 -0.010 0.000 1.190 405 K CB -0.868 31.627 32.500 -0.007 0.000 0.850 405 K HN 0.830 nan 8.250 nan 0.000 0.467 406 D N 0.000 120.393 120.400 -0.012 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.993 54.000 -0.012 0.000 0.868 406 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683